N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide

C20H22N2O2 — CID 18121849

IUPACN-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-5-7-15(8-6-14)9-12-19(23)21-18-4-2-3-16(13-18)20(24)22-17-10-11-17/h2-8,13,17H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHEAAJBYAZSCUBN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds6

About N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide

N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide (PubChem CID 18121849) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
PubChem CID18121849
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-5-7-15(8-6-14)9-12-19(23)21-18-4-2-3-16(13-18)20(24)22-17-10-11-17/h2-8,13,17H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHEAAJBYAZSCUBN-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
N-cyclopropyl-3-[3-(furan-2-yl)propanoylamino]benzamide
CID 9360830
3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108541864
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide (CID 18121849) is N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide is Cc1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide?
The InChIKey is HEAAJBYAZSCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-7-15(8-6-14)9-12-19(23)21-18-4-2-3-16(13-18)20(24)22-17-10-11-17/h2-8,13,17H,9-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide?
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 18121849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).