3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide

C12H21NO2 — CID 89093023

IUPAC3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NCC
InChIInChI=1S/C12H21NO2/c1-3-8-15-11(12(14)13-4-2)9-10-6-5-7-10/h3,10-11H,1,4-9H2,2H3,(H,13,14)
InChIKeyNZTGLUMPRJVUFJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds7

About 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide

3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide (PubChem CID 89093023) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide
PubChem CID89093023
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NCC
InChIInChI=1S/C12H21NO2/c1-3-8-15-11(12(14)13-4-2)9-10-6-5-7-10/h3,10-11H,1,4-9H2,2H3,(H,13,14)
InChIKeyNZTGLUMPRJVUFJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide?
The IUPAC name of 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide (CID 89093023) is 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide.
What is the SMILES notation for 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide?
The canonical SMILES for 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide is C=CCOC(CC1CCC1)C(=O)NCC.
What is the InChIKey of 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide?
The InChIKey is NZTGLUMPRJVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-8-15-11(12(14)13-4-2)9-10-6-5-7-10/h3,10-11H,1,4-9H2,2H3,(H,13,14).
What are the key properties of 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide?
3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide has a molecular weight of 211.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 89093023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).