2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide

C20H24N2O2 — CID 110606651

IUPAC2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-11-12-16(13-15(14)2)7-6-10-19(23)22-18-9-5-4-8-17(18)20(24)21-3/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIRQGMYCRBKNAAK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.62
Rot. Bonds6

About 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide

2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide (PubChem CID 110606651) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
PubChem CID110606651
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-11-12-16(13-15(14)2)7-6-10-19(23)22-18-9-5-4-8-17(18)20(24)21-3/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIRQGMYCRBKNAAK-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
N,N'-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]hexanediamide
CID 4945136
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
3-phenylpropyl 5-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-5-oxopentanoate
CID 4923883
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide (CID 110606651) is 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCCc1ccc(C)c(C)c1.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide?
The InChIKey is IRQGMYCRBKNAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-11-12-16(13-15(14)2)7-6-10-19(23)22-18-9-5-4-8-17(18)20(24)21-3/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide?
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide is sourced from PubChem (CID 110606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).