N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide

C21H24N2O4 — CID 26707492

IUPACN-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-16-11-14(12-17(13-16)27-2)7-10-20(24)23-19-6-4-3-5-18(19)21(25)22-15-8-9-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGXQWMWDOUQNCJF-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.17
Rot. Bonds8

About N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide

N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide (PubChem CID 26707492) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
PubChem CID26707492
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-16-11-14(12-17(13-16)27-2)7-10-20(24)23-19-6-4-3-5-18(19)21(25)22-15-8-9-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGXQWMWDOUQNCJF-UHFFFAOYSA-N
XLogP3.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
CID 34283045
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide (CID 26707492) is N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide is COc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide?
The InChIKey is GXQWMWDOUQNCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-16-11-14(12-17(13-16)27-2)7-10-20(24)23-19-6-4-3-5-18(19)21(25)22-15-8-9-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide?
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 26707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).