2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide

C16H25ClN2O — CID 115712612

IUPAC2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
SMILESCCCC(NCC(=O)N(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-4-7-15(13-8-10-14(17)11-9-13)18-12-16(20)19(5-2)6-3/h8-11,15,18H,4-7,12H2,1-3H3
InChIKeyGZEJOXPJIQOYBH-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.64
Rot. Bonds8

About 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide

2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide (PubChem CID 115712612) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
PubChem CID115712612
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
SMILESCCCC(NCC(=O)N(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-4-7-15(13-8-10-14(17)11-9-13)18-12-16(20)19(5-2)6-3/h8-11,15,18H,4-7,12H2,1-3H3
InChIKeyGZEJOXPJIQOYBH-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
N,N-diethyl-2-(hexan-3-ylamino)acetamide
CID 62117829
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide (CID 115712612) is 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide is CCCC(NCC(=O)N(CC)CC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide?
The InChIKey is GZEJOXPJIQOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-7-15(13-8-10-14(17)11-9-13)18-12-16(20)19(5-2)6-3/h8-11,15,18H,4-7,12H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide?
2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide has a molecular weight of 296.84 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide is sourced from PubChem (CID 115712612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).