3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide

C16H25N3O — CID 109013731

IUPAC3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCNC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-7-14(8-10-15)18-16(20)11-12-17-13-5-3-4-6-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyVQMOASNDMZSKCG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide

3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 109013731) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID109013731
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCNC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-7-14(8-10-15)18-16(20)11-12-17-13-5-3-4-6-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyVQMOASNDMZSKCG-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]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

N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide (CID 109013731) is 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide is CN(C)c1ccc(NC(=O)CCNC2CCCC2)cc1.
What is the InChIKey of 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is VQMOASNDMZSKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)15-9-7-14(8-10-15)18-16(20)11-12-17-13-5-3-4-6-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide?
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 109013731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).