3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide

C16H24Cl2N2O — CID 60926174

IUPAC3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
SMILESCCC(NCCC(=O)N(CC)CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-4-15(13-8-7-12(17)11-14(13)18)19-10-9-16(21)20(5-2)6-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyURCGKMJCOHHVDG-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.29
Rot. Bonds8

About 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide

3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide (PubChem CID 60926174) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
PubChem CID60926174
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
SMILESCCC(NCCC(=O)N(CC)CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-4-15(13-8-7-12(17)11-14(13)18)19-10-9-16(21)20(5-2)6-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyURCGKMJCOHHVDG-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide (CID 60926174) is 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide is CCC(NCCC(=O)N(CC)CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide?
The InChIKey is URCGKMJCOHHVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-4-15(13-8-7-12(17)11-14(13)18)19-10-9-16(21)20(5-2)6-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide?
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide has a molecular weight of 331.29 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60926174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).