N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

C20H28N4O3 — CID 9053688

IUPACN-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)CC(=O)NC1CC1
InChIInChI=1S/C20H28N4O3/c1-24(12-18(25)21-15-10-11-15)13-19(26)23-17-9-5-4-8-16(17)20(27)22-14-6-2-3-7-14/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyIBSYARBZVGLGBH-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.51
Rot. Bonds8

About N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (PubChem CID 9053688) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
PubChem CID9053688
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)CC(=O)NC1CC1
InChIInChI=1S/C20H28N4O3/c1-24(12-18(25)21-15-10-11-15)13-19(26)23-17-9-5-4-8-16(17)20(27)22-14-6-2-3-7-14/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyIBSYARBZVGLGBH-UHFFFAOYSA-N
XLogP1.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (CID 9053688) is N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The InChIKey is IBSYARBZVGLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-24(12-18(25)21-15-10-11-15)13-19(26)23-17-9-5-4-8-16(17)20(27)22-14-6-2-3-7-14/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,25)(H,22,27)(H,23,26).
What are the key properties of N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide has a molecular weight of 372.47 g/mol, XLogP of 1.51, 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-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 9053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).