N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide

C19H22N2O2 — CID 42427411

IUPACN-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-19(23)16-6-5-7-17(12-16)21-18(22)15-10-8-13(2)9-11-15/h5-12,14H,4H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyYCPAEHDDUDLSHH-AWEZNQCLSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds5

About N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide

N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 42427411) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID42427411
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-19(23)16-6-5-7-17(12-16)21-18(22)15-10-8-13(2)9-11-15/h5-12,14H,4H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyYCPAEHDDUDLSHH-AWEZNQCLSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide (CID 42427411) is N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide is CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is YCPAEHDDUDLSHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-14(3)20-19(23)16-6-5-7-17(12-16)21-18(22)15-10-8-13(2)9-11-15/h5-12,14H,4H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide?
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.78, 5 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]-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 42427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).