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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Related Compounds

3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide
CID 21366338
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
CID 21366322
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 21366296
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide
CID 158585010

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).