(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide

C16H26N2O — CID 103830899

IUPAC(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-10-14(17)16(19)18-15-12(4)8-7-9-13(15)11(2)3/h7-9,11,14H,5-6,10,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyGXYJHSPPVZPZIB-AWEZNQCLSA-N
MW262.40 g/mol
LogP3.57
Rot. Bonds6

About (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide

(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide (PubChem CID 103830899) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
PubChem CID103830899
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-10-14(17)16(19)18-15-12(4)8-7-9-13(15)11(2)3/h7-9,11,14H,5-6,10,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyGXYJHSPPVZPZIB-AWEZNQCLSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
(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-(2,6-diethylphenyl)hexanamide
CID 107143829
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide
CID 18473219
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide (CID 103830899) is (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide?
The InChIKey is GXYJHSPPVZPZIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-10-14(17)16(19)18-15-12(4)8-7-9-13(15)11(2)3/h7-9,11,14H,5-6,10,17H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide?
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide has a molecular weight of 262.40 g/mol, XLogP of 3.57, 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-(2-methyl-6-propan-2-ylphenyl)hexanamide is sourced from PubChem (CID 103830899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).