(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide

C14H20Cl2N2O — CID 93339949

IUPAC(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-4-5-13(17)14(19)18-9(2)11-7-6-10(15)8-12(11)16/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t9-,13+/m1/s1
InChIKeyOSLLVFGCOKJNNK-RNCFNFMXSA-N
MW303.23 g/mol
LogP3.69
Rot. Bonds6

About (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide

(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide (PubChem CID 93339949) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
PubChem CID93339949
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-4-5-13(17)14(19)18-9(2)11-7-6-10(15)8-12(11)16/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t9-,13+/m1/s1
InChIKeyOSLLVFGCOKJNNK-RNCFNFMXSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
2-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 119957538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide (CID 93339949) is (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide is CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide?
The InChIKey is OSLLVFGCOKJNNK-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-4-5-13(17)14(19)18-9(2)11-7-6-10(15)8-12(11)16/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t9-,13+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide?
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide has a molecular weight of 303.23 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide is sourced from PubChem (CID 93339949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).