Cas no 61845-91-8 (Butanamide, 3-oxo-N,N-bis(phenylmethyl)-)
61845-91-8 structure
Product Name:Butanamide, 3-oxo-N,N-bis(phenylmethyl)-
CAS No:61845-91-8
MF:C18H19NO2
MW:281.348964929581
CID:1630534
PubChem ID:12318542
Update Time:2025-04-21
Butanamide, 3-oxo-N,N-bis(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, 3-oxo-N,N-bis(phenylmethyl)-
- N,N-dibenzyl-3-oxobutanamide
- DTXSID60488123
- 61845-91-8
- AKOS000165416
-
- Inchi: 1S/C18H19NO2/c1-15(20)12-18(21)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3
- InChI Key: IOCQWZOACMWVSU-UHFFFAOYSA-N
- SMILES: O=C(CC(C)=O)N(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 281.14167
- Monoisotopic Mass: 281.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
Butanamide, 3-oxo-N,N-bis(phenylmethyl)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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