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

C11H21NO2 — CID 854995

IUPACN-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
SMILESCC[C@@H](CO)NC(=O)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h9-10,13H,2-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyITMZDQRHUVNMHH-JTQLQIEISA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds4

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

N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide (PubChem CID 854995) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
PubChem CID854995
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
SMILESCC[C@@H](CO)NC(=O)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h9-10,13H,2-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyITMZDQRHUVNMHH-JTQLQIEISA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-hex-5-yn-3-ylcyclooctanecarboxamide
CID 115647391
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 103919820
N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
CID 103920134

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide (CID 854995) is N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide is CC[C@@H](CO)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide?
The InChIKey is ITMZDQRHUVNMHH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-10(8-13)12-11(14)9-6-4-3-5-7-9/h9-10,13H,2-8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 4 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]cyclohexanecarboxamide is sourced from PubChem (CID 854995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).