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

C15H23ClN2O — CID 115667904

IUPAC3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-4-14(12-6-5-7-13(16)10-12)17-9-8-15(19)18-11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyLOCZQASOXPIGBV-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.30
Rot. Bonds7

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

3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide (PubChem CID 115667904) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
PubChem CID115667904
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-4-14(12-6-5-7-13(16)10-12)17-9-8-15(19)18-11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyLOCZQASOXPIGBV-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 ≤ 500282.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
CID 43551886
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide (CID 115667904) is 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide is CCC(NCCC(=O)NC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
The InChIKey is LOCZQASOXPIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-14(12-6-5-7-13(16)10-12)17-9-8-15(19)18-11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide?
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide has a molecular weight of 282.81 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-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115667904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).