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

C18H20N2O3 — CID 111473777

IUPAC1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(8-9-21)11-19-18(22)20-13-6-7-15-14-4-2-3-5-16(14)23-17(15)10-13/h2-7,10,12,21H,8-9,11H2,1H3,(H2,19,20,22)
InChIKeyQITNCXPVTOZNJO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.73
Rot. Bonds5

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

1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111473777) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111473777
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(8-9-21)11-19-18(22)20-13-6-7-15-14-4-2-3-5-16(14)23-17(15)10-13/h2-7,10,12,21H,8-9,11H2,1H3,(H2,19,20,22)
InChIKeyQITNCXPVTOZNJO-UHFFFAOYSA-N
XLogP3.73
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
CID 75475921
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
CID 17099643
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea (CID 111473777) is 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is QITNCXPVTOZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(8-9-21)11-19-18(22)20-13-6-7-15-14-4-2-3-5-16(14)23-17(15)10-13/h2-7,10,12,21H,8-9,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea?
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 312.37 g/mol, XLogP of 3.73, 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-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111473777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).