(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide

C15H23ClN2O — CID 104903057

IUPAC(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)9-14(17)15(19)18(4)11(3)12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3/t11?,14-/m1/s1
InChIKeyJLZOMUGAOHTMOC-SBXXRYSUSA-N
MW282.81 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide

(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide (PubChem CID 104903057) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
PubChem CID104903057
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)9-14(17)15(19)18(4)11(3)12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3/t11?,14-/m1/s1
InChIKeyJLZOMUGAOHTMOC-SBXXRYSUSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
CID 124682219
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide (CID 104903057) is (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide is CC(C)C[C@@H](N)C(=O)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
The InChIKey is JLZOMUGAOHTMOC-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)9-14(17)15(19)18(4)11(3)12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3/t11?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide?
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 104903057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).