N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide

C13H25NO2 — CID 65119480

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(15)14-9-13(16)6-4-5-11(3)8-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyPYPQDEAALIMTFQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide (PubChem CID 65119480) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
PubChem CID65119480
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(15)14-9-13(16)6-4-5-11(3)8-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyPYPQDEAALIMTFQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide (CID 65119480) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide is CC(C)CC(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The InChIKey is PYPQDEAALIMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)7-12(15)14-9-13(16)6-4-5-11(3)8-13/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65119480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).