2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide

C12H15NO4 — CID 11345403

IUPAC2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide
SMILESNC(=O)C1COC(COCc2ccccc2)O1
InChIInChI=1S/C12H15NO4/c13-12(14)10-7-16-11(17-10)8-15-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,13,14)
InChIKeyPXTGCLSWBDXUMY-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.43
Rot. Bonds5

About 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide

2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide (PubChem CID 11345403) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide
PubChem CID11345403
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide
SMILESNC(=O)C1COC(COCc2ccccc2)O1
InChIInChI=1S/C12H15NO4/c13-12(14)10-7-16-11(17-10)8-15-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,13,14)
InChIKeyPXTGCLSWBDXUMY-UHFFFAOYSA-N
XLogP0.43
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide?
The IUPAC name of 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide (CID 11345403) is 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide?
The canonical SMILES for 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide is NC(=O)C1COC(COCc2ccccc2)O1.
What is the InChIKey of 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide?
The InChIKey is PXTGCLSWBDXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c13-12(14)10-7-16-11(17-10)8-15-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,13,14).
What are the key properties of 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide?
2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 11345403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).