3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide

C10H19NO3 — CID 115409665

IUPAC3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide
SMILESCC(C)CONC(=O)C1OCCC1C
InChIInChI=1S/C10H19NO3/c1-7(2)6-14-11-10(12)9-8(3)4-5-13-9/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyPHYRGSVGJQTIKH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.12
Rot. Bonds4

About 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide

3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide (PubChem CID 115409665) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide
PubChem CID115409665
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide
SMILESCC(C)CONC(=O)C1OCCC1C
InChIInChI=1S/C10H19NO3/c1-7(2)6-14-11-10(12)9-8(3)4-5-13-9/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyPHYRGSVGJQTIKH-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.12
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 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide (CID 115409665) is 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide is CC(C)CONC(=O)C1OCCC1C.
What is the InChIKey of 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide?
The InChIKey is PHYRGSVGJQTIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-14-11-10(12)9-8(3)4-5-13-9/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide?
3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropoxy)oxolane-2-carboxamide is sourced from PubChem (CID 115409665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).