1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

C20H22N2O4 — CID 113199612

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C20H22N2O4/c1-24-15-4-2-13(3-5-15)6-9-21-20(23)22-18-16-8-11-25-17(16)12-14-7-10-26-19(14)18/h2-5,12H,6-11H2,1H3,(H2,21,22,23)
InChIKeyOQZZRUNTAFXCOJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (PubChem CID 113199612) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
PubChem CID113199612
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C20H22N2O4/c1-24-15-4-2-13(3-5-15)6-9-21-20(23)22-18-16-8-11-25-17(16)12-14-7-10-26-19(14)18/h2-5,12H,6-11H2,1H3,(H2,21,22,23)
InChIKeyOQZZRUNTAFXCOJ-UHFFFAOYSA-N
XLogP2.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199636
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199605
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
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-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
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)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (CID 113199612) is 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is COc1ccc(CCNC(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The InChIKey is OQZZRUNTAFXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-15-4-2-13(3-5-15)6-9-21-20(23)22-18-16-8-11-25-17(16)12-14-7-10-26-19(14)18/h2-5,12H,6-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea has a molecular weight of 354.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is sourced from PubChem (CID 113199612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).