(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide

C15H24N2O — CID 103830837

IUPAC(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-6-7-13(16)15(18)17-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyCCIOFVXGVQHVBL-ZDUSSCGKSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds5

About (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide

(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide (PubChem CID 103830837) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
PubChem CID103830837
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-6-7-13(16)15(18)17-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyCCIOFVXGVQHVBL-ZDUSSCGKSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide (CID 103830837) is (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide?
The InChIKey is CCIOFVXGVQHVBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-6-7-13(16)15(18)17-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide?
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide is sourced from PubChem (CID 103830837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).