2-tetradecyloxirane-2-carboxamide

C17H33NO2 — CID 12782918

IUPAC2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H2,18,19)
InChIKeyDNDBDUYHFIPHEB-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.33
Rot. Bonds14

About 2-tetradecyloxirane-2-carboxamide

2-tetradecyloxirane-2-carboxamide (PubChem CID 12782918) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-tetradecyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-tetradecyloxirane-2-carboxamide
PubChem CID12782918
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H2,18,19)
InChIKeyDNDBDUYHFIPHEB-UHFFFAOYSA-N
XLogP4.33
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.33
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-tetradecyloxirane-2-carboxamide?
The IUPAC name of 2-tetradecyloxirane-2-carboxamide (CID 12782918) is 2-tetradecyloxirane-2-carboxamide.
What is the SMILES notation for 2-tetradecyloxirane-2-carboxamide?
The canonical SMILES for 2-tetradecyloxirane-2-carboxamide is CCCCCCCCCCCCCCC1(C(N)=O)CO1.
What is the InChIKey of 2-tetradecyloxirane-2-carboxamide?
The InChIKey is DNDBDUYHFIPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H2,18,19).
What are the key properties of 2-tetradecyloxirane-2-carboxamide?
2-tetradecyloxirane-2-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyloxirane-2-carboxamide is sourced from PubChem (CID 12782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).