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

C19H22N2O3 — CID 42427383

IUPACN-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-13(2)20-18(22)14-5-9-16(10-6-14)21-19(23)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyDCESRCNOUYXVPY-ZDUSSCGKSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds6

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

N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 42427383) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
PubChem CID42427383
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-13(2)20-18(22)14-5-9-16(10-6-14)21-19(23)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyDCESRCNOUYXVPY-ZDUSSCGKSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
CID 50821478
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide (CID 42427383) is N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide is CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is DCESRCNOUYXVPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-13(2)20-18(22)14-5-9-16(10-6-14)21-19(23)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide?
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 42427383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).