3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide

C13H23NO2 — CID 21366276

IUPAC3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NC(C)C
InChIInChI=1S/C13H23NO2/c1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyZDYKIVHCIHOYBO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds7

About 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide

3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide (PubChem CID 21366276) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
PubChem CID21366276
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NC(C)C
InChIInChI=1S/C13H23NO2/c1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyZDYKIVHCIHOYBO-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
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-propan-2-yl-2-prop-2-enoxypropanamide?
The IUPAC name of 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide (CID 21366276) is 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide.
What is the SMILES notation for 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
The canonical SMILES for 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide is C=CCOC(CC1CCC1)C(=O)NC(C)C.
What is the InChIKey of 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
The InChIKey is ZDYKIVHCIHOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15).
What are the key properties of 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 21366276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).