3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide

C12H23NO3 — CID 103798579

IUPAC3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
SMILESCCOCCC(=O)NC1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-11-6-4-3-5-10(11)9-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyDSZHTBSHLSLUPW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds6

About 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide

3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 103798579) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID103798579
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
SMILESCCOCCC(=O)NC1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-11-6-4-3-5-10(11)9-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyDSZHTBSHLSLUPW-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

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103525061
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
2-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethoxy]acetic acid
CID 106359300
N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
CID 89374191
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
CID 106359880
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
N-[2-(hydroxymethyl)cyclopentyl]-3-methylsulfonylpropanamide
CID 103822602

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide (CID 103798579) is 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide is CCOCCC(=O)NC1CCCCC1CO.
What is the InChIKey of 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is DSZHTBSHLSLUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-11-6-4-3-5-10(11)9-14/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide 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 3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 103798579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).