(2R,3S)-3-hexadecanoyloxirane-2-carboxamide

C19H35NO3 — CID 10829932

IUPAC(2R,3S)-3-hexadecanoyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(N)=O
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17-18(23-17)19(20)22/h17-18H,2-15H2,1H3,(H2,20,22)/t17-,18-/m1/s1
InChIKeyZDRXFXKWRIEYQB-QZTJIDSGSA-N
MW325.49 g/mol
LogP4.29
Rot. Bonds16

About (2R,3S)-3-hexadecanoyloxirane-2-carboxamide

(2R,3S)-3-hexadecanoyloxirane-2-carboxamide (PubChem CID 10829932) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is (2R,3S)-3-hexadecanoyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-hexadecanoyloxirane-2-carboxamide
PubChem CID10829932
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name(2R,3S)-3-hexadecanoyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(N)=O
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17-18(23-17)19(20)22/h17-18H,2-15H2,1H3,(H2,20,22)/t17-,18-/m1/s1
InChIKeyZDRXFXKWRIEYQB-QZTJIDSGSA-N
XLogP4.29
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
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 (2R,3S)-3-hexadecanoyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-hexadecanoyloxirane-2-carboxamide (CID 10829932) is (2R,3S)-3-hexadecanoyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-hexadecanoyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-hexadecanoyloxirane-2-carboxamide is CCCCCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-3-hexadecanoyloxirane-2-carboxamide?
The InChIKey is ZDRXFXKWRIEYQB-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17-18(23-17)19(20)22/h17-18H,2-15H2,1H3,(H2,20,22)/t17-,18-/m1/s1.
What are the key properties of (2R,3S)-3-hexadecanoyloxirane-2-carboxamide?
(2R,3S)-3-hexadecanoyloxirane-2-carboxamide has a molecular weight of 325.49 g/mol, XLogP of 4.29, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hexadecanoyloxirane-2-carboxamide is sourced from PubChem (CID 10829932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).