2-undecyloxirane-2-carboxamide

C14H27NO2 — CID 20511375

IUPAC2-undecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(12-17-14)13(15)16/h2-12H2,1H3,(H2,15,16)
InChIKeyCPQRKBLJDAOFDX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.16
Rot. Bonds11

About 2-undecyloxirane-2-carboxamide

2-undecyloxirane-2-carboxamide (PubChem CID 20511375) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-undecyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-undecyloxirane-2-carboxamide
PubChem CID20511375
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-undecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC1(C(N)=O)CO1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(12-17-14)13(15)16/h2-12H2,1H3,(H2,15,16)
InChIKeyCPQRKBLJDAOFDX-UHFFFAOYSA-N
XLogP3.16
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.16
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-undecyloxirane-2-carboxamide?
The IUPAC name of 2-undecyloxirane-2-carboxamide (CID 20511375) is 2-undecyloxirane-2-carboxamide.
What is the SMILES notation for 2-undecyloxirane-2-carboxamide?
The canonical SMILES for 2-undecyloxirane-2-carboxamide is CCCCCCCCCCCC1(C(N)=O)CO1.
What is the InChIKey of 2-undecyloxirane-2-carboxamide?
The InChIKey is CPQRKBLJDAOFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(12-17-14)13(15)16/h2-12H2,1H3,(H2,15,16).
What are the key properties of 2-undecyloxirane-2-carboxamide?
2-undecyloxirane-2-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyloxirane-2-carboxamide is sourced from PubChem (CID 20511375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).