5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide

C15H23ClN2O — CID 82012505

IUPAC5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(10-17)7-8-15(19)18(3)12(2)13-5-4-6-14(16)9-13/h4-6,9,11-12H,7-8,10,17H2,1-3H3
InChIKeyUEPXQBQQNMDCQL-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.23
Rot. Bonds6

About 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide

5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide (PubChem CID 82012505) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
PubChem CID82012505
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(10-17)7-8-15(19)18(3)12(2)13-5-4-6-14(16)9-13/h4-6,9,11-12H,7-8,10,17H2,1-3H3
InChIKeyUEPXQBQQNMDCQL-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide (CID 82012505) is 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide is CC(CN)CCC(=O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The InChIKey is UEPXQBQQNMDCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(10-17)7-8-15(19)18(3)12(2)13-5-4-6-14(16)9-13/h4-6,9,11-12H,7-8,10,17H2,1-3H3.
What are the key properties of 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 82012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).