4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

C13H25NO2 — CID 115150844

IUPAC4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)8-9-14(3)13(16)11-4-6-12(15)7-5-11/h10-12,15H,4-9H2,1-3H3
InChIKeyARRTZJIILMSYQJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 115150844) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID115150844
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)8-9-14(3)13(16)11-4-6-12(15)7-5-11/h10-12,15H,4-9H2,1-3H3
InChIKeyARRTZJIILMSYQJ-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (CID 115150844) is 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCN(C)C(=O)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is ARRTZJIILMSYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-9-14(3)13(16)11-4-6-12(15)7-5-11/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).