(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide

C14H22N2O — CID 103830807

IUPAC(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C14H22N2O/c1-4-5-6-12(15)14(17)16-13-9-10(2)7-8-11(13)3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUKTPEBZLHXNBEG-LBPRGKRZSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide

(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide (PubChem CID 103830807) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
PubChem CID103830807
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C14H22N2O/c1-4-5-6-12(15)14(17)16-13-9-10(2)7-8-11(13)3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUKTPEBZLHXNBEG-LBPRGKRZSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2S)-2-amino-N-(2,4-dimethyl-5-nitrophenyl)hexanamide
CID 107146529
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide (CID 103830807) is (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide?
The InChIKey is UKTPEBZLHXNBEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-12(15)14(17)16-13-9-10(2)7-8-11(13)3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide?
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.76, 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-(2,5-dimethylphenyl)hexanamide is sourced from PubChem (CID 103830807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).