N-methyl-N-octyloxirane-2-carboxamide

C12H23NO2 — CID 176644736

IUPACN-methyl-N-octyloxirane-2-carboxamide
SMILESCCCCCCCCN(C)C(=O)C1CO1
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-13(2)12(14)11-10-15-11/h11H,3-10H2,1-2H3
InChIKeyRJNIFWZWKSKEID-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds8

About N-methyl-N-octyloxirane-2-carboxamide

N-methyl-N-octyloxirane-2-carboxamide (PubChem CID 176644736) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-N-octyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-octyloxirane-2-carboxamide
PubChem CID176644736
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-methyl-N-octyloxirane-2-carboxamide
SMILESCCCCCCCCN(C)C(=O)C1CO1
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-13(2)12(14)11-10-15-11/h11H,3-10H2,1-2H3
InChIKeyRJNIFWZWKSKEID-UHFFFAOYSA-N
XLogP2.20
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-methyl-N-octyloxirane-2-carboxamide?
The IUPAC name of N-methyl-N-octyloxirane-2-carboxamide (CID 176644736) is N-methyl-N-octyloxirane-2-carboxamide.
What is the SMILES notation for N-methyl-N-octyloxirane-2-carboxamide?
The canonical SMILES for N-methyl-N-octyloxirane-2-carboxamide is CCCCCCCCN(C)C(=O)C1CO1.
What is the InChIKey of N-methyl-N-octyloxirane-2-carboxamide?
The InChIKey is RJNIFWZWKSKEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-13(2)12(14)11-10-15-11/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-octyloxirane-2-carboxamide?
N-methyl-N-octyloxirane-2-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octyloxirane-2-carboxamide is sourced from PubChem (CID 176644736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).