2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide

C16H25ClN2O — CID 43750698

IUPAC2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
SMILESCCC(NC(CC(C)C)C(=O)NC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-5-14(12-6-8-13(17)9-7-12)19-15(10-11(2)3)16(20)18-4/h6-9,11,14-15,19H,5,10H2,1-4H3,(H,18,20)
InChIKeyTWGKHFFGJGSJJW-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.54
Rot. Bonds7

About 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide

2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide (PubChem CID 43750698) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
PubChem CID43750698
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
SMILESCCC(NC(CC(C)C)C(=O)NC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-5-14(12-6-8-13(17)9-7-12)19-15(10-11(2)3)16(20)18-4/h6-9,11,14-15,19H,5,10H2,1-4H3,(H,18,20)
InChIKeyTWGKHFFGJGSJJW-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
CID 104683907
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide (CID 43750698) is 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide is CCC(NC(CC(C)C)C(=O)NC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide?
The InChIKey is TWGKHFFGJGSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-14(12-6-8-13(17)9-7-12)19-15(10-11(2)3)16(20)18-4/h6-9,11,14-15,19H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide?
2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).