N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

C10H19NO2 — CID 11252410

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyHAKMNRXWOHHKOQ-IUCAKERBSA-N
MW185.27 g/mol
LogP1.21
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (PubChem CID 11252410) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]butanamide
PubChem CID11252410
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyHAKMNRXWOHHKOQ-IUCAKERBSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90074
Clavaminol H
CID 12618620
Clavaminol C
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N-[(1S,2S)-2-Hydroxycyclohexyl]-3-oxododecanamide
CID 9839732
N'-[(1R,2S)-2-hydroxycyclohexyl]-N-octylpropanediamide
CID 53238846
N-[(2R,3S)-3-hydroxyundecan-2-yl]acetamide
CID 44424871
N-(1,3-dihydroxytridecan-2-yl)acetamide
CID 53792599
N-(2-Hydroxycyclohexyl)octanamide
CID 3748464
Acetamide, N-(2-hydroxycyclohexyl)-
CID 5251579
N-[(1S,2S)-2-Hydroxycyclohexyl]acetamide
CID 11105614
N-[(1R,2R)-2-Hydroxycyclohexyl]acetamide
CID 12343641
N-cyclohexyl-3-hydroxybutanamide
CID 69602939

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (CID 11252410) is N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is CCCC(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The InChIKey is HAKMNRXWOHHKOQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 11252410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).