N-butyl-2-tridecyloxirane-2-carboxamide

C20H39NO2 — CID 20511398

IUPACN-butyl-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)NCCCC)CO1
InChIInChI=1S/C20H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-20(18-23-20)19(22)21-17-6-4-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyLPVAXYZFNXXPCQ-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.37
Rot. Bonds16

About N-butyl-2-tridecyloxirane-2-carboxamide

N-butyl-2-tridecyloxirane-2-carboxamide (PubChem CID 20511398) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-butyl-2-tridecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-tridecyloxirane-2-carboxamide
PubChem CID20511398
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-butyl-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)NCCCC)CO1
InChIInChI=1S/C20H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-20(18-23-20)19(22)21-17-6-4-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyLPVAXYZFNXXPCQ-UHFFFAOYSA-N
XLogP5.37
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.37
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 N-butyl-2-tridecyloxirane-2-carboxamide?
The IUPAC name of N-butyl-2-tridecyloxirane-2-carboxamide (CID 20511398) is N-butyl-2-tridecyloxirane-2-carboxamide.
What is the SMILES notation for N-butyl-2-tridecyloxirane-2-carboxamide?
The canonical SMILES for N-butyl-2-tridecyloxirane-2-carboxamide is CCCCCCCCCCCCCC1(C(=O)NCCCC)CO1.
What is the InChIKey of N-butyl-2-tridecyloxirane-2-carboxamide?
The InChIKey is LPVAXYZFNXXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-20(18-23-20)19(22)21-17-6-4-2/h3-18H2,1-2H3,(H,21,22).
What are the key properties of N-butyl-2-tridecyloxirane-2-carboxamide?
N-butyl-2-tridecyloxirane-2-carboxamide has a molecular weight of 325.54 g/mol, XLogP of 5.37, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-tridecyloxirane-2-carboxamide is sourced from PubChem (CID 20511398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).