N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide

C20H39NO2 — CID 20511389

IUPACN-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(=O)NCC)OC1C
InChIInChI=1S/C20H39NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(18(3)23-20)19(22)21-5-2/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyXHVKLAXSFZFVSO-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.37
Rot. Bonds15

About N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide

N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide (PubChem CID 20511389) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
PubChem CID20511389
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(=O)NCC)OC1C
InChIInChI=1S/C20H39NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(18(3)23-20)19(22)21-5-2/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyXHVKLAXSFZFVSO-UHFFFAOYSA-N
XLogP5.37
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
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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Related Compounds

ethyl 2-(6-methoxy-6-oxohexyl)-3-methyloxirane-2-carboxylate
CID 10061059
2-butyl-3-pentadecyloxirane-2-carboxylic acid
CID 22078452
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
2-ethyl-3-methyl-2-pentyloxirane
CID 154091449
3-heptyl-2-methyloxolan-3-ol
CID 82718796
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-heptyl-2-methylcyclopropane-1-carboxylic acid
CID 70266688
1-ethyl-3-octan-2-ylurea
CID 56827686

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide (CID 20511389) is N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide is CCCCCCCCCCCCCCC1(C(=O)NCC)OC1C.
What is the InChIKey of N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide?
The InChIKey is XHVKLAXSFZFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20(18(3)23-20)19(22)21-5-2/h18H,4-17H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide?
N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide has a molecular weight of 325.54 g/mol, XLogP of 5.37, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide is sourced from PubChem (CID 20511389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).