N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide

C24H30N4O3 — CID 9124540

IUPACN-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H30N4O3/c1-25-23(30)18-13-11-17(12-14-18)15-28(2)16-22(29)27-21-10-6-5-9-20(21)24(31)26-19-7-3-4-8-19/h5-6,9-14,19H,3-4,7-8,15-16H2,1-2H3,(H,25,30)(H,26,31)(H,27,29)
InChIKeyKFECWVWKFVQCGQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.79
Rot. Bonds8

About N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide (PubChem CID 9124540) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
PubChem CID9124540
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H30N4O3/c1-25-23(30)18-13-11-17(12-14-18)15-28(2)16-22(29)27-21-10-6-5-9-20(21)24(31)26-19-7-3-4-8-19/h5-6,9-14,19H,3-4,7-8,15-16H2,1-2H3,(H,25,30)(H,26,31)(H,27,29)
InChIKeyKFECWVWKFVQCGQ-UHFFFAOYSA-N
XLogP2.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259
N-cyclopropyl-4-[[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]methyl]benzamide
CID 34622925
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide (CID 9124540) is N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide?
The InChIKey is KFECWVWKFVQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-25-23(30)18-13-11-17(12-14-18)15-28(2)16-22(29)27-21-10-6-5-9-20(21)24(31)26-19-7-3-4-8-19/h5-6,9-14,19H,3-4,7-8,15-16H2,1-2H3,(H,25,30)(H,26,31)(H,27,29).
What are the key properties of N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9124540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).