(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide

C19H37NO2 — CID 10638801

IUPAC(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC[C@@H]1O[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C19H37NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(22-17)19(21)20(5-2)6-3/h17-18H,4-16H2,1-3H3/t17-,18+/m0/s1
InChIKeyUINNSWONWJRCGR-ZWKOTPCHSA-N
MW311.51 g/mol
LogP4.93
Rot. Bonds14

About (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide

(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide (PubChem CID 10638801) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
PubChem CID10638801
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC[C@@H]1O[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C19H37NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(22-17)19(21)20(5-2)6-3/h17-18H,4-16H2,1-3H3/t17-,18+/m0/s1
InChIKeyUINNSWONWJRCGR-ZWKOTPCHSA-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

(2S,3S)-3-heptyl-N,N-di(propan-2-yl)oxirane-2-carboxamide
CID 11288680
1-[(2S,3R)-3-decyloxiran-2-yl]ethanone
CID 101212240
(2S,3R)-3-pentyloxirane-2-carboxylic acid
CID 45084926
1-[(2S,3R)-3-pentyloxiran-2-yl]ethanone
CID 15981538
1-[(2S,3R)-3-pentyloxiran-2-yl]propan-1-one
CID 135060546
1-[(2S,3R)-3-heptyloxiran-2-yl]-2,2-dimethylpropan-1-one
CID 87794847
methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
N,N,N',N'-tetraethyl-2,8-bis[8-[(2S,3S)-3-octyloxiran-2-yl]octyl]nonanediamide
CID 90908048
3-[(Z)-nonadec-10-enyl]oxirane-2-carboxylic acid;zinc
CID 174745069
cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide
CID 102327285
2-hydroxyethyl 3-undecyloxirane-2-carboxylate
CID 101288763
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide (CID 10638801) is (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide is CCCCCCCCCCCC[C@@H]1O[C@H]1C(=O)N(CC)CC.
What is the InChIKey of (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide?
The InChIKey is UINNSWONWJRCGR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H37NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(22-17)19(21)20(5-2)6-3/h17-18H,4-16H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide?
(2R,3S)-3-dodecyl-N,N-diethyloxirane-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 (2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide is sourced from PubChem (CID 10638801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).