1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride

C18H28ClN3O2 — CID 120610787

IUPAC1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(CNC(=O)CCc2ccccc2N)CCCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-21(2)17(23)18(11-5-6-12-18)13-20-16(22)10-9-14-7-3-4-8-15(14)19;/h3-4,7-8H,5-6,9-13,19H2,1-2H3,(H,20,22);1H
InChIKeyAWHVCYDJDVRGMY-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.39
Rot. Bonds6

About 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride

1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 120610787) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
PubChem CID120610787
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(CNC(=O)CCc2ccccc2N)CCCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-21(2)17(23)18(11-5-6-12-18)13-20-16(22)10-9-14-7-3-4-8-15(14)19;/h3-4,7-8H,5-6,9-13,19H2,1-2H3,(H,20,22);1H
InChIKeyAWHVCYDJDVRGMY-UHFFFAOYSA-N
XLogP2.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 120611838
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
CID 120611837
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride (CID 120610787) is 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride is CN(C)C(=O)C1(CNC(=O)CCc2ccccc2N)CCCC1.Cl.
What is the InChIKey of 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AWHVCYDJDVRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-21(2)17(23)18(11-5-6-12-18)13-20-16(22)10-9-14-7-3-4-8-15(14)19;/h3-4,7-8H,5-6,9-13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride?
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120610787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).