N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide

C25H26N2O2 — CID 100515328

IUPACN-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-18(2)26-25(29)22-11-7-8-12-23(22)27-24(28)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1
InChIKeyWZUMMVFEMZHOFZ-SFHVURJKSA-N
MW386.50 g/mol
LogP5.06
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide (PubChem CID 100515328) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
PubChem CID100515328
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-18(2)26-25(29)22-11-7-8-12-23(22)27-24(28)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1
InChIKeyWZUMMVFEMZHOFZ-SFHVURJKSA-N
XLogP5.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
2-[[2-(4-phenylphenyl)acetyl]amino]-N-propylbenzamide
CID 31288816
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
(E)-4-[2-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17151177

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide (CID 100515328) is N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The InChIKey is WZUMMVFEMZHOFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-18(2)26-25(29)22-11-7-8-12-23(22)27-24(28)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 100515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).