(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide

C16H26N2O — CID 107143829

IUPAC(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C16H26N2O/c1-4-7-11-14(17)16(19)18-15-12(5-2)9-8-10-13(15)6-3/h8-10,14H,4-7,11,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyCDUHETJDNJDZQT-AWEZNQCLSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds7

About (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide

(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide (PubChem CID 107143829) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
PubChem CID107143829
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C16H26N2O/c1-4-7-11-14(17)16(19)18-15-12(5-2)9-8-10-13(15)6-3/h8-10,14H,4-7,11,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyCDUHETJDNJDZQT-AWEZNQCLSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
CID 107146091
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide (CID 107143829) is (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide?
The InChIKey is CDUHETJDNJDZQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-7-11-14(17)16(19)18-15-12(5-2)9-8-10-13(15)6-3/h8-10,14H,4-7,11,17H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide?
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide has a molecular weight of 262.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,6-diethylphenyl)hexanamide is sourced from PubChem (CID 107143829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).