2-tridecyloxirane-2-carboxamide

C16H31NO2 — CID 20511410

IUPAC2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(14-19-16)15(17)18/h2-14H2,1H3,(H2,17,18)
InChIKeyCQRQUIAFUKQYSG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.94
Rot. Bonds13

About 2-tridecyloxirane-2-carboxamide

2-tridecyloxirane-2-carboxamide (PubChem CID 20511410) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-tridecyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-tridecyloxirane-2-carboxamide
PubChem CID20511410
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(14-19-16)15(17)18/h2-14H2,1H3,(H2,17,18)
InChIKeyCQRQUIAFUKQYSG-UHFFFAOYSA-N
XLogP3.94
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.94
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-tridecyloxirane-2-carboxamide?
The IUPAC name of 2-tridecyloxirane-2-carboxamide (CID 20511410) is 2-tridecyloxirane-2-carboxamide.
What is the SMILES notation for 2-tridecyloxirane-2-carboxamide?
The canonical SMILES for 2-tridecyloxirane-2-carboxamide is CCCCCCCCCCCCCC1(C(N)=O)CO1.
What is the InChIKey of 2-tridecyloxirane-2-carboxamide?
The InChIKey is CQRQUIAFUKQYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(14-19-16)15(17)18/h2-14H2,1H3,(H2,17,18).
What are the key properties of 2-tridecyloxirane-2-carboxamide?
2-tridecyloxirane-2-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.94, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecyloxirane-2-carboxamide is sourced from PubChem (CID 20511410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).