N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide

C18H35NO3 — CID 20511402

IUPACN-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)NCCO)CO1
InChIInChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(16-22-18)17(21)19-14-15-20/h20H,2-16H2,1H3,(H,19,21)
InChIKeySTAYOUMKRZHEQU-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.57
Rot. Bonds15

About N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide

N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide (PubChem CID 20511402) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide
PubChem CID20511402
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)NCCO)CO1
InChIInChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(16-22-18)17(21)19-14-15-20/h20H,2-16H2,1H3,(H,19,21)
InChIKeySTAYOUMKRZHEQU-UHFFFAOYSA-N
XLogP3.57
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide (CID 20511402) is N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide is CCCCCCCCCCCCCC1(C(=O)NCCO)CO1.
What is the InChIKey of N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide?
The InChIKey is STAYOUMKRZHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(16-22-18)17(21)19-14-15-20/h20H,2-16H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide?
N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide has a molecular weight of 313.48 g/mol, XLogP of 3.57, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide is sourced from PubChem (CID 20511402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).