N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide

C17H27N3O — CID 43540741

IUPACN-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1cccc(N)c1C)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-20(14-7-4-5-8-14)12-11-17(21)19-16-10-6-9-15(18)13(16)2/h6,9-10,14H,3-5,7-8,11-12,18H2,1-2H3,(H,19,21)
InChIKeyDQKPLPXYZCYRRO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.17
Rot. Bonds6

About N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide

N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide (PubChem CID 43540741) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
PubChem CID43540741
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1cccc(N)c1C)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-20(14-7-4-5-8-14)12-11-17(21)19-16-10-6-9-15(18)13(16)2/h6,9-10,14H,3-5,7-8,11-12,18H2,1-2H3,(H,19,21)
InChIKeyDQKPLPXYZCYRRO-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
N-(3-amino-2-methylphenyl)-4-(cyclopentylmethylsulfanyl)butanamide
CID 63119327
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide (CID 43540741) is N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1cccc(N)c1C)C1CCCC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide?
The InChIKey is DQKPLPXYZCYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(14-7-4-5-8-14)12-11-17(21)19-16-10-6-9-15(18)13(16)2/h6,9-10,14H,3-5,7-8,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide?
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide is sourced from PubChem (CID 43540741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).