3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide

C15H24ClN3O — CID 109016879

IUPAC3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3O/c1-19(2)11-3-9-18-15(20)8-10-17-12-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyUGTFHLVHORLESS-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.89
Rot. Bonds9

About 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide

3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016879) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016879
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3O/c1-19(2)11-3-9-18-15(20)8-10-17-12-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyUGTFHLVHORLESS-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]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)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide (CID 109016879) is 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is UGTFHLVHORLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-19(2)11-3-9-18-15(20)8-10-17-12-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide?
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 297.83 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).