N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide

C10H19NO3 — CID 65155454

IUPACN-ethoxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCONC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H19NO3/c1-5-13-11-10(12)9-6(2)7(3)14-8(9)4/h6-9H,5H2,1-4H3,(H,11,12)
InChIKeyRPPHGMWDLAXRIB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.11
Rot. Bonds3

About N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide

N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155454) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155454
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-ethoxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCONC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H19NO3/c1-5-13-11-10(12)9-6(2)7(3)14-8(9)4/h6-9H,5H2,1-4H3,(H,11,12)
InChIKeyRPPHGMWDLAXRIB-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide (CID 65155454) is N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide is CCONC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is RPPHGMWDLAXRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-11-10(12)9-6(2)7(3)14-8(9)4/h6-9H,5H2,1-4H3,(H,11,12).
What are the key properties of N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide?
N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).