2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C25H28N2O — CID 7516085

IUPAC2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-20(17-18-21-11-5-2-6-12-21)27-24(28)19-26-25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25-26H,17-19H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeyXWVFTDOJZHDTPA-FQEVSTJZSA-N
MW372.51 g/mol
LogP4.50
Rot. Bonds9

About 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 7516085) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID7516085
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-20(17-18-21-11-5-2-6-12-21)27-24(28)19-26-25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25-26H,17-19H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeyXWVFTDOJZHDTPA-FQEVSTJZSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862218
N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 7516085) is 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide is C[C@@H](CCc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is XWVFTDOJZHDTPA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O/c1-20(17-18-21-11-5-2-6-12-21)27-24(28)19-26-25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25-26H,17-19H2,1H3,(H,27,28)/t20-/m0/s1.
What are the key properties of 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7516085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).