N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide

C12H23NO4 — CID 112752762

IUPACN-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCC(CO)C1
InChIInChI=1S/C12H23NO4/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyIMVRIKYUNMILDM-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.32
Rot. Bonds7

About N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide

N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 112752762) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
PubChem CID112752762
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCC(CO)C1
InChIInChI=1S/C12H23NO4/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyIMVRIKYUNMILDM-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.32
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

N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 113428949
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
3-[3-(2-methoxyethoxy)propyl]-N-methylcyclohexan-1-amine
CID 103413672
2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
CID 95358222
3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide (CID 112752762) is N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCCC(CO)C1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is IMVRIKYUNMILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide?
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 112752762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).