2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide

C13H25NO3 — CID 65119187

IUPAC2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
SMILESCCOCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H25NO3/c1-4-17-9-11(15)14-10-13(16)7-5-12(2,3)6-8-13/h16H,4-10H2,1-3H3,(H,14,15)
InChIKeyJNUVMMCNPYUXRL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds5

About 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide

2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide (PubChem CID 65119187) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
PubChem CID65119187
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
SMILESCCOCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H25NO3/c1-4-17-9-11(15)14-10-13(16)7-5-12(2,3)6-8-13/h16H,4-10H2,1-3H3,(H,14,15)
InChIKeyJNUVMMCNPYUXRL-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
CID 65119283
2-tert-butylsulfanyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119458
2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
CID 65123303
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide (CID 65119187) is 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide is CCOCC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The InChIKey is JNUVMMCNPYUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-17-9-11(15)14-10-13(16)7-5-12(2,3)6-8-13/h16H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).