N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide

C23H22N2O2 — CID 68725551

IUPACN-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
SMILESNC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O2/c24-22(26)21(16-15-17-9-3-1-4-10-17)25-23(27)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H2,24,26)(H,25,27)
InChIKeyIIHBHTPXDHHMJH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.57
Rot. Bonds7

About N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide

N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide (PubChem CID 68725551) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
PubChem CID68725551
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
SMILESNC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O2/c24-22(26)21(16-15-17-9-3-1-4-10-17)25-23(27)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H2,24,26)(H,25,27)
InChIKeyIIHBHTPXDHHMJH-UHFFFAOYSA-N
XLogP3.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
CID 123327979
2-acetamido-4-phenylbutanamide
CID 67451841
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(2S)-4-benzylsulfanyl-2-[(2-phenylbenzoyl)amino]butanoic acid
CID 149150781
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
CID 67365397
(3S)-4-ethoxy-4-oxo-3-[(2-phenylbenzoyl)amino]butane-1-sulfonic acid
CID 87371804

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide?
The IUPAC name of N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide (CID 68725551) is N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide?
The canonical SMILES for N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide is NC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide?
The InChIKey is IIHBHTPXDHHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c24-22(26)21(16-15-17-9-3-1-4-10-17)25-23(27)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H2,24,26)(H,25,27).
What are the key properties of N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide?
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide is sourced from PubChem (CID 68725551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).