3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide

C25H24N2O4 — CID 70087876

IUPAC3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide
SMILESCC(=O)NCC(=O)[C@@H](Cc1ccccc1)c1cccc(C(N)=O)c1Oc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-17(28)27-16-23(29)22(15-18-9-4-2-5-10-18)20-13-8-14-21(25(26)30)24(20)31-19-11-6-3-7-12-19/h2-14,22H,15-16H2,1H3,(H2,26,30)(H,27,28)/t22-/m0/s1
InChIKeyNZHZNOXZPJXHJS-QFIPXVFZSA-N
MW416.48 g/mol
LogP3.61
Rot. Bonds9

About 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide

3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide (PubChem CID 70087876) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide.

Molecular Properties

Compound Name3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide
PubChem CID70087876
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide
SMILESCC(=O)NCC(=O)[C@@H](Cc1ccccc1)c1cccc(C(N)=O)c1Oc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-17(28)27-16-23(29)22(15-18-9-4-2-5-10-18)20-13-8-14-21(25(26)30)24(20)31-19-11-6-3-7-12-19/h2-14,22H,15-16H2,1H3,(H2,26,30)(H,27,28)/t22-/m0/s1
InChIKeyNZHZNOXZPJXHJS-QFIPXVFZSA-N
XLogP3.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 70168277
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide
CID 146295275
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide
CID 146295279
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
methyl 2-amino-3-(1-phenylpropan-2-yl)benzoate
CID 170180230
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide?
The IUPAC name of 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide (CID 70087876) is 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide.
What is the SMILES notation for 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide?
The canonical SMILES for 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide is CC(=O)NCC(=O)[C@@H](Cc1ccccc1)c1cccc(C(N)=O)c1Oc1ccccc1.
What is the InChIKey of 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide?
The InChIKey is NZHZNOXZPJXHJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17(28)27-16-23(29)22(15-18-9-4-2-5-10-18)20-13-8-14-21(25(26)30)24(20)31-19-11-6-3-7-12-19/h2-14,22H,15-16H2,1H3,(H2,26,30)(H,27,28)/t22-/m0/s1.
What are the key properties of 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide?
3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-acetamido-3-oxo-1-phenylbutan-2-yl]-2-phenoxybenzamide is sourced from PubChem (CID 70087876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).