1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea

C21H18N2O4 — CID 2860106

IUPAC1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-9-7-13(8-10-14)22-21(24)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyYQLKEMGZLVQHTN-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.25
Rot. Bonds4

About 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea

1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea (PubChem CID 2860106) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea
PubChem CID2860106
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-9-7-13(8-10-14)22-21(24)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyYQLKEMGZLVQHTN-UHFFFAOYSA-N
XLogP5.25
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea (CID 2860106) is 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is YQLKEMGZLVQHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-14-9-7-13(8-10-14)22-21(24)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea?
1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 362.39 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxydibenzofuran-3-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 2860106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).