1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

C19H20N2O4 — CID 113199696

IUPAC1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C19H20N2O4/c1-11-3-4-15(23-2)14(9-11)20-19(22)21-17-13-6-8-24-16(13)10-12-5-7-25-18(12)17/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22)
InChIKeyBXHLQLCTLOYQDF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (PubChem CID 113199696) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
PubChem CID113199696
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C19H20N2O4/c1-11-3-4-15(23-2)14(9-11)20-19(22)21-17-13-6-8-24-16(13)10-12-5-7-25-18(12)17/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22)
InChIKeyBXHLQLCTLOYQDF-UHFFFAOYSA-N
XLogP3.52
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea with MolForge

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Related Compounds

3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
CID 113199710
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199605
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 47064346
N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199510
3,4-difluoro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095438
1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199636
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (CID 113199696) is 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is COc1ccc(C)cc1NC(=O)Nc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The InChIKey is BXHLQLCTLOYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-3-4-15(23-2)14(9-11)20-19(22)21-17-13-6-8-24-16(13)10-12-5-7-25-18(12)17/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea has a molecular weight of 340.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is sourced from PubChem (CID 113199696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).