1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea

C16H16N2O5 — CID 17378932

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C16H16N2O5/c1-20-11-4-5-12(14(8-11)21-2)18-16(19)17-10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyXROIEASRCWVLJE-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.08
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 17378932) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID17378932
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C16H16N2O5/c1-20-11-4-5-12(14(8-11)21-2)18-16(19)17-10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyXROIEASRCWVLJE-UHFFFAOYSA-N
XLogP3.08
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143680
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
CID 17298589
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215721
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide
CID 20923601
1-(2,4-dimethoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea
CID 30378549
3-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109040338

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea (CID 17378932) is 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is XROIEASRCWVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-20-11-4-5-12(14(8-11)21-2)18-16(19)17-10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 316.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 17378932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).