1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea

C19H22N2O3 — CID 86967249

IUPAC1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H22N2O3/c1-12(2)9-14(11-22)21-19(23)20-13-7-8-16-15-5-3-4-6-17(15)24-18(16)10-13/h3-8,10,12,14,22H,9,11H2,1-2H3,(H2,20,21,23)
InChIKeyFGVNZEQMJFYRDR-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.11
Rot. Bonds5

About 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 86967249) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID86967249
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H22N2O3/c1-12(2)9-14(11-22)21-19(23)20-13-7-8-16-15-5-3-4-6-17(15)24-18(16)10-13/h3-8,10,12,14,22H,9,11H2,1-2H3,(H2,20,21,23)
InChIKeyFGVNZEQMJFYRDR-UHFFFAOYSA-N
XLogP4.11
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 86967249) is 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is FGVNZEQMJFYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)9-14(11-22)21-19(23)20-13-7-8-16-15-5-3-4-6-17(15)24-18(16)10-13/h3-8,10,12,14,22H,9,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 86967249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).