N-[(2S)-1-hydroxybutan-2-yl]hexanamide

C10H21NO2 — CID 104981701

IUPACN-[(2S)-1-hydroxybutan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CC)CO
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKeyHYMCXUVJSVGHCS-VIFPVBQESA-N
MW187.28 g/mol
LogP1.45
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]hexanamide

N-[(2S)-1-hydroxybutan-2-yl]hexanamide (PubChem CID 104981701) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]hexanamide
PubChem CID104981701
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CC)CO
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKeyHYMCXUVJSVGHCS-VIFPVBQESA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-pentan-3-yldocosanamide
CID 123339332
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
N-[(2R)-1,4-dihydroxytetradecan-2-yl]tetradecanamide
CID 59040546

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]hexanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]hexanamide (CID 104981701) is N-[(2S)-1-hydroxybutan-2-yl]hexanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]hexanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]hexanamide is CCCCCC(=O)N[C@@H](CC)CO.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]hexanamide?
The InChIKey is HYMCXUVJSVGHCS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]hexanamide?
N-[(2S)-1-hydroxybutan-2-yl]hexanamide has a molecular weight of 187.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]hexanamide is sourced from PubChem (CID 104981701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).