2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C12H23NO3 — CID 112699630

IUPAC2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESCCOCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-8-11(15)13-9-12(10-14)6-4-3-5-7-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyQRTDSWCAFIKMRQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds6

About 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 112699630) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID112699630
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESCCOCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-8-11(15)13-9-12(10-14)6-4-3-5-7-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyQRTDSWCAFIKMRQ-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
CID 65123303
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 112699630) is 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is CCOCC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is QRTDSWCAFIKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-8-11(15)13-9-12(10-14)6-4-3-5-7-12/h14H,2-10H2,1H3,(H,13,15).
What are the key properties of 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 112699630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).