2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide

C13H18Cl2N2O — CID 54870634

IUPAC2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-12(16)13(18)17(3)8(2)10-6-5-9(14)7-11(10)15/h5-8,12H,4,16H2,1-3H3
InChIKeyBWRBLLZUTPTFTQ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide (PubChem CID 54870634) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
PubChem CID54870634
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-12(16)13(18)17(3)8(2)10-6-5-9(14)7-11(10)15/h5-8,12H,4,16H2,1-3H3
InChIKeyBWRBLLZUTPTFTQ-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide (CID 54870634) is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide is CCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide?
The InChIKey is BWRBLLZUTPTFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-12(16)13(18)17(3)8(2)10-6-5-9(14)7-11(10)15/h5-8,12H,4,16H2,1-3H3.
What are the key properties of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide?
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide has a molecular weight of 289.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 54870634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).