N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

C13H25NO4 — CID 65123962

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO4/c1-11-4-3-5-13(16,8-11)10-14-12(15)9-18-7-6-17-2/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyOGNCTKREFKFNIS-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.71
Rot. Bonds7

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 65123962) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID65123962
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO4/c1-11-4-3-5-13(16,8-11)10-14-12(15)9-18-7-6-17-2/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyOGNCTKREFKFNIS-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124161
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
2-(2-methoxyethoxy)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722075
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (CID 65123962) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is OGNCTKREFKFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-11-4-3-5-13(16,8-11)10-14-12(15)9-18-7-6-17-2/h11,16H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 259.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 65123962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).