3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide

C15H23ClN2O — CID 112684495

IUPAC3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-14(12-5-7-13(16)8-6-12)17-10-9-15(19)18-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyAZXHJBLVBPMTOX-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.30
Rot. Bonds7

About 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide

3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide (PubChem CID 112684495) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
PubChem CID112684495
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-14(12-5-7-13(16)8-6-12)17-10-9-15(19)18-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyAZXHJBLVBPMTOX-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide 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

3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
CID 115709150
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide (CID 112684495) is 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide is CCC(NCCC(=O)NC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The InChIKey is AZXHJBLVBPMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-14(12-5-7-13(16)8-6-12)17-10-9-15(19)18-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide has a molecular weight of 282.82 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112684495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).