2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide

C17H27N3O — CID 62122770

IUPAC2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C2CCCC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-3-19-11-14-8-9-16(13(2)10-14)20(12-17(18)21)15-6-4-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,18,21)
InChIKeyJMLBJPJLTXXRMQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.34
Rot. Bonds7

About 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide

2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide (PubChem CID 62122770) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide.

Molecular Properties

Compound Name2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
PubChem CID62122770
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C2CCCC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-3-19-11-14-8-9-16(13(2)10-14)20(12-17(18)21)15-6-4-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,18,21)
InChIKeyJMLBJPJLTXXRMQ-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide 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

2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
CID 81144136
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63553009
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102633008
2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
CID 55130364
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-cyclopentylamino]acetamide
CID 80629884
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
2-bromo-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 114062692

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide?
The IUPAC name of 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide (CID 62122770) is 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide.
What is the SMILES notation for 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide?
The canonical SMILES for 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide is CCNCc1ccc(N(CC(N)=O)C2CCCC2)c(C)c1.
What is the InChIKey of 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide?
The InChIKey is JMLBJPJLTXXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-11-14-8-9-16(13(2)10-14)20(12-17(18)21)15-6-4-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide?
2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide is sourced from PubChem (CID 62122770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).