1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

C20H22N2O5 — CID 113217833

IUPAC1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2c3c(cc4c2OCC4)OCC3)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-24-13-3-4-16(18(10-13)25-2)22-20(23)21-11-15-14-6-8-26-17(14)9-12-5-7-27-19(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H2,21,22,23)
InChIKeyDFCIVWNQSQQASE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (PubChem CID 113217833) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
PubChem CID113217833
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2c3c(cc4c2OCC4)OCC3)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-24-13-3-4-16(18(10-13)25-2)22-20(23)21-11-15-14-6-8-26-17(14)9-12-5-7-27-19(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H2,21,22,23)
InChIKeyDFCIVWNQSQQASE-UHFFFAOYSA-N
XLogP2.90
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)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

N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199510
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199612
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
1-(2,5-dimethylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217632
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113096350
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 90558176
3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (CID 113217833) is 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is COc1ccc(NC(=O)NCc2c3c(cc4c2OCC4)OCC3)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The InChIKey is DFCIVWNQSQQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-24-13-3-4-16(18(10-13)25-2)22-20(23)21-11-15-14-6-8-26-17(14)9-12-5-7-27-19(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea has a molecular weight of 370.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is sourced from PubChem (CID 113217833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).