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

C14H21ClN2O — CID 43402967

IUPAC2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NC(C)C(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-5-13(11-6-8-12(15)9-7-11)16-10(2)14(18)17(3)4/h6-10,13,16H,5H2,1-4H3
InChIKeyLLOMTFZCTISEQG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.86
Rot. Bonds5

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

2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide (PubChem CID 43402967) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
PubChem CID43402967
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NC(C)C(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-5-13(11-6-8-12(15)9-7-11)16-10(2)14(18)17(3)4/h6-10,13,16H,5H2,1-4H3
InChIKeyLLOMTFZCTISEQG-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
CID 43750698
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
2-[1-[1-(4-chlorophenyl)propylamino]ethyl]benzene-1,3-diol
CID 107710624

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide (CID 43402967) is 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide is CCC(NC(C)C(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide?
The InChIKey is LLOMTFZCTISEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-13(11-6-8-12(15)9-7-11)16-10(2)14(18)17(3)4/h6-10,13,16H,5H2,1-4H3.
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide?
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43402967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).