5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid

C15H19Cl2NO3 — CID 62963870

IUPAC5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-9(7-15(20)21)6-14(19)18(3)10(2)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,20,21)
InChIKeyUZBZOFOAHQZONQ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.01
Rot. Bonds6

About 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid

5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963870) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62963870
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-9(7-15(20)21)6-14(19)18(3)10(2)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,20,21)
InChIKeyUZBZOFOAHQZONQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55584400
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-(4-cyanoanilino)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 52732261

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid (CID 62963870) is 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(C)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is UZBZOFOAHQZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-9(7-15(20)21)6-14(19)18(3)10(2)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid?
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 332.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).