N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide

C10H19NO2 — CID 36689616

IUPACN-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
SMILESCC(=O)NC[C@@]1(O)CCC[C@H](C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m0/s1
InChIKeyYHDKZEYGKLYRSE-WCBMZHEXSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds2

About N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide

N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide (PubChem CID 36689616) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
PubChem CID36689616
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
SMILESCC(=O)NC[C@@]1(O)CCC[C@H](C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m0/s1
InChIKeyYHDKZEYGKLYRSE-WCBMZHEXSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide?
The IUPAC name of N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide (CID 36689616) is N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide is CC(=O)NC[C@@]1(O)CCC[C@H](C)C1.
What is the InChIKey of N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide?
The InChIKey is YHDKZEYGKLYRSE-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m0/s1.
What are the key properties of N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide?
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 36689616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).