(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide

C15H27NO3 — CID 101005767

IUPAC(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide
SMILESCCCCCCCCCC(=O)[C@@H]1O[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H27NO3/c1-4-5-6-7-8-9-10-11-12(17)13-14(19-13)15(18)16(2)3/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyGIVBICLTPXNRPH-KBPBESRZSA-N
MW269.38 g/mol
LogP2.55
Rot. Bonds10

About (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide

(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide (PubChem CID 101005767) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide
PubChem CID101005767
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide
SMILESCCCCCCCCCC(=O)[C@@H]1O[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H27NO3/c1-4-5-6-7-8-9-10-11-12(17)13-14(19-13)15(18)16(2)3/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyGIVBICLTPXNRPH-KBPBESRZSA-N
XLogP2.55
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
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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Related Compounds

3-pentanoyloxirane-2-carboxylic acid
CID 158082933
(2S,3S)-3-(1-hydroxytetradecyl)-N,N-dimethyloxirane-2-carboxamide
CID 101005763
1-[(2S,3R)-3-propan-2-yloxiran-2-yl]nonan-1-one
CID 15835896
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
CID 19889031
1-(3-methyloxolan-2-yl)nonan-1-one
CID 114966839
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 10978509
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N,N-dimethylmethanamine;octanoic acid
CID 173098896

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide?
The IUPAC name of (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide (CID 101005767) is (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide is CCCCCCCCCC(=O)[C@@H]1O[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide?
The InChIKey is GIVBICLTPXNRPH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-5-6-7-8-9-10-11-12(17)13-14(19-13)15(18)16(2)3/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide?
(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 2.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide is sourced from PubChem (CID 101005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).