2-pentadecyloxirane-2-carboxamide

C18H35NO2 — CID 20511390

IUPAC2-pentadecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20/h2-16H2,1H3,(H2,19,20)
InChIKeyUODJQRCNRXJLMT-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.72
Rot. Bonds15

About 2-pentadecyloxirane-2-carboxamide

2-pentadecyloxirane-2-carboxamide (PubChem CID 20511390) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-pentadecyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-pentadecyloxirane-2-carboxamide
PubChem CID20511390
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-pentadecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20/h2-16H2,1H3,(H2,19,20)
InChIKeyUODJQRCNRXJLMT-UHFFFAOYSA-N
XLogP4.72
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentadecyloxirane-2-carboxamide?
The IUPAC name of 2-pentadecyloxirane-2-carboxamide (CID 20511390) is 2-pentadecyloxirane-2-carboxamide.
What is the SMILES notation for 2-pentadecyloxirane-2-carboxamide?
The canonical SMILES for 2-pentadecyloxirane-2-carboxamide is CCCCCCCCCCCCCCCC1(C(N)=O)CO1.
What is the InChIKey of 2-pentadecyloxirane-2-carboxamide?
The InChIKey is UODJQRCNRXJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20/h2-16H2,1H3,(H2,19,20).
What are the key properties of 2-pentadecyloxirane-2-carboxamide?
2-pentadecyloxirane-2-carboxamide has a molecular weight of 297.48 g/mol, XLogP of 4.72, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyloxirane-2-carboxamide is sourced from PubChem (CID 20511390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).