methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate

C13H15NO4 — CID 23726947

IUPACmethyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate
SMILESC=C=CN(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H15NO4/c1-5-6-14(13(15)18-4)10-7-11(16-2)9-12(8-10)17-3/h6-9H,1H2,2-4H3
InChIKeyHPYSVGLNCLRAJC-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.58
Rot. Bonds4

About methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate

methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate (PubChem CID 23726947) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate.

Molecular Properties

Compound Namemethyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate
PubChem CID23726947
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate
SMILESC=C=CN(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H15NO4/c1-5-6-14(13(15)18-4)10-7-11(16-2)9-12(8-10)17-3/h6-9H,1H2,2-4H3
InChIKeyHPYSVGLNCLRAJC-UHFFFAOYSA-N
XLogP2.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate 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 methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate?
The IUPAC name of methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate (CID 23726947) is methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate.
What is the SMILES notation for methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate?
The canonical SMILES for methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate is C=C=CN(C(=O)OC)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate?
The InChIKey is HPYSVGLNCLRAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-5-6-14(13(15)18-4)10-7-11(16-2)9-12(8-10)17-3/h6-9H,1H2,2-4H3.
What are the key properties of methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate?
methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate has a molecular weight of 249.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,5-dimethoxyphenyl)-N-propa-1,2-dienylcarbamate is sourced from PubChem (CID 23726947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).