4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride

C17H26ClN3O2 — CID 119305977

IUPAC4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCCN.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-11-13(17(22)19-14-5-2-3-6-14)8-9-15(12)20-16(21)7-4-10-18;/h8-9,11,14H,2-7,10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyVCYWJBKYGLNCIT-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.77
Rot. Bonds6

About 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride

4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride (PubChem CID 119305977) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
PubChem CID119305977
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCCN.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-11-13(17(22)19-14-5-2-3-6-14)8-9-15(12)20-16(21)7-4-10-18;/h8-9,11,14H,2-7,10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyVCYWJBKYGLNCIT-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
CID 119305974
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride?
The IUPAC name of 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride (CID 119305977) is 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride?
The canonical SMILES for 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCCN.Cl.
What is the InChIKey of 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride?
The InChIKey is VCYWJBKYGLNCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12-11-13(17(22)19-14-5-2-3-6-14)8-9-15(12)20-16(21)7-4-10-18;/h8-9,11,14H,2-7,10,18H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride?
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119305977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).