N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide

C19H37NO2 — CID 20511409

IUPACN-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)N(C)CC)CO1
InChIInChI=1S/C19H37NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19(17-22-19)18(21)20(3)5-2/h4-17H2,1-3H3
InChIKeyCIMIFAYEKPLEEO-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.93
Rot. Bonds14

About N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide

N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide (PubChem CID 20511409) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide
PubChem CID20511409
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCC1(C(=O)N(C)CC)CO1
InChIInChI=1S/C19H37NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19(17-22-19)18(21)20(3)5-2/h4-17H2,1-3H3
InChIKeyCIMIFAYEKPLEEO-UHFFFAOYSA-N
XLogP4.93
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.93
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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Related Compounds

N,N-dimethyl-2-tetradecyloxirane-2-carboxamide
CID 12782920
N-(2-hydroxyethyl)-2-tetradecyloxirane-2-carboxamide
CID 13706909
(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
CID 10638801
n,n'-Dimethyl-n,n'-dioctylhexylethoxymalonamide
CID 86208723
(2R,3S)-3-heptyl-N,N-di(propan-2-yl)oxirane-2-carboxamide
CID 11161536
(2R,3S)-N,N-diethyl-3-heptyl-2-methyloxirane-2-carboxamide
CID 12135815
N,N'-dimethyl-N,N'-dibutyldodecylethoxymalonamide
CID 129865099
[(2R,3S)-3-dodecyloxiran-2-yl]-morpholin-4-ylmethanone
CID 134928466
(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide
CID 10489394
2-hexadecyl-N,N-dimethyloxirane-2-carboxamide
CID 20345885
N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide
CID 20511368
N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide
CID 20511377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide (CID 20511409) is N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide is CCCCCCCCCCCCCC1(C(=O)N(C)CC)CO1.
What is the InChIKey of N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide?
The InChIKey is CIMIFAYEKPLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19(17-22-19)18(21)20(3)5-2/h4-17H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide?
N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide has a molecular weight of 311.51 g/mol, XLogP of 4.93, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-tridecyloxirane-2-carboxamide is sourced from PubChem (CID 20511409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).