N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

C15H23NO2 — CID 138546457

IUPACN-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESC=CC(CCC)NC(=O)COC1=CCC(C)C=C1
InChIInChI=1S/C15H23NO2/c1-4-6-13(5-2)16-15(17)11-18-14-9-7-12(3)8-10-14/h5,7,9-10,12-13H,2,4,6,8,11H2,1,3H3,(H,16,17)
InChIKeyBYINGAFPHDVJFO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.95
Rot. Bonds7

About N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (PubChem CID 138546457) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
PubChem CID138546457
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESC=CC(CCC)NC(=O)COC1=CCC(C)C=C1
InChIInChI=1S/C15H23NO2/c1-4-6-13(5-2)16-15(17)11-18-14-9-7-12(3)8-10-14/h5,7,9-10,12-13H,2,4,6,8,11H2,1,3H3,(H,16,17)
InChIKeyBYINGAFPHDVJFO-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.95
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 N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The IUPAC name of N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (CID 138546457) is N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.
What is the SMILES notation for N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The canonical SMILES for N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is C=CC(CCC)NC(=O)COC1=CCC(C)C=C1.
What is the InChIKey of N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The InChIKey is BYINGAFPHDVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-13(5-2)16-15(17)11-18-14-9-7-12(3)8-10-14/h5,7,9-10,12-13H,2,4,6,8,11H2,1,3H3,(H,16,17).
What are the key properties of N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is sourced from PubChem (CID 138546457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).