3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C9H17NO3 — CID 115764765

IUPAC3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCCOCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-2-13-6-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyUWWGBRYFYPAWHL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds6

About 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115764765) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115764765
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCCOCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-2-13-6-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyUWWGBRYFYPAWHL-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
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-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
CID 115772394
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
N-(1-carbamothioylcyclohexyl)-3-ethoxypropanamide
CID 55091304
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
3-ethoxy-N-ethylpropanamide
CID 58030283
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115764765) is 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide is CCOCCC(=O)NC1(CO)CC1.
What is the InChIKey of 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is UWWGBRYFYPAWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-6-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115764765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).