N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

C17H26N2O — CID 119507604

IUPACN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCNCCNC(=O)C1(c2cccc(C)c2)CCCC1
InChIInChI=1S/C17H26N2O/c1-3-18-11-12-19-16(20)17(9-4-5-10-17)15-8-6-7-14(2)13-15/h6-8,13,18H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyLUDBZSOZORTROL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 119507604) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID119507604
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCNCCNC(=O)C1(c2cccc(C)c2)CCCC1
InChIInChI=1S/C17H26N2O/c1-3-18-11-12-19-16(20)17(9-4-5-10-17)15-8-6-7-14(2)13-15/h6-8,13,18H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyLUDBZSOZORTROL-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide 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-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (CID 119507604) is N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is CCNCCNC(=O)C1(c2cccc(C)c2)CCCC1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is LUDBZSOZORTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-11-12-19-16(20)17(9-4-5-10-17)15-8-6-7-14(2)13-15/h6-8,13,18H,3-5,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119507604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).