N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide

C19H22N2O3 — CID 2994922

IUPACN-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-18(22)20-15-6-4-14(5-7-15)19(23)21-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCFIIKTMJFAFCIT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.93
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide

N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide (PubChem CID 2994922) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
PubChem CID2994922
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-18(22)20-15-6-4-14(5-7-15)19(23)21-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCFIIKTMJFAFCIT-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
CID 17341352
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide (CID 2994922) is N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide?
The InChIKey is CFIIKTMJFAFCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)12-18(22)20-15-6-4-14(5-7-15)19(23)21-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide?
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 2994922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).