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

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RG-2833
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SK-7041
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3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
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LY 188544
CID 126157
4-Tert-butyl-N-(2-fluorophenyl)benzamide
CID 773723
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813
3'-Methylbenzanilide
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N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
Ketoamide, 12
CID 25023794

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).