N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide

C16H23N3O2 — CID 107181192

IUPACN-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
SMILESCC1CCCC1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H23N3O2/c1-11-5-4-7-12(11)16(21)19-14-8-3-2-6-13(14)15(20)18-10-9-17/h2-3,6,8,11-12H,4-5,7,9-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKKCQXNVOWSRJRO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.75
Rot. Bonds5

About N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide

N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide (PubChem CID 107181192) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
PubChem CID107181192
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
SMILESCC1CCCC1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H23N3O2/c1-11-5-4-7-12(11)16(21)19-14-8-3-2-6-13(14)15(20)18-10-9-17/h2-3,6,8,11-12H,4-5,7,9-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKKCQXNVOWSRJRO-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120604417
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120604335
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
N-(2-aminoethyl)-2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120604140
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
2-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103977919
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide (CID 107181192) is N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide is CC1CCCC1C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide?
The InChIKey is KKCQXNVOWSRJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-4-7-12(11)16(21)19-14-8-3-2-6-13(14)15(20)18-10-9-17/h2-3,6,8,11-12H,4-5,7,9-10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide?
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide is sourced from PubChem (CID 107181192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).