3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide

C17H27N3O — CID 83108125

IUPAC3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCc2cccc(N)c2)CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(10-3-4-11-17)13-19-16(21)9-8-14-6-5-7-15(18)12-14/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21)
InChIKeyRTJBGUMDCAVQQK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.19
Rot. Bonds6

About 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide

3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide (PubChem CID 83108125) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
PubChem CID83108125
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCc2cccc(N)c2)CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(10-3-4-11-17)13-19-16(21)9-8-14-6-5-7-15(18)12-14/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21)
InChIKeyRTJBGUMDCAVQQK-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide 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-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 18155359
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105413331
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide (CID 83108125) is 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide is CN(C)C1(CNC(=O)CCc2cccc(N)c2)CCCC1.
What is the InChIKey of 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The InChIKey is RTJBGUMDCAVQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)17(10-3-4-11-17)13-19-16(21)9-8-14-6-5-7-15(18)12-14/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 83108125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).