1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea

C17H18N2O3 — CID 21293770

IUPAC1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
SMILESCC(CCc1ccc2c(c1)oc1ccccc12)N(O)C(N)=O
InChIInChI=1S/C17H18N2O3/c1-11(19(21)17(18)20)6-7-12-8-9-14-13-4-2-3-5-15(13)22-16(14)10-12/h2-5,8-11,21H,6-7H2,1H3,(H2,18,20)
InChIKeyAXDRESQHMBYLGW-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea

1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea (PubChem CID 21293770) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea.

Molecular Properties

Compound Name1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
PubChem CID21293770
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
SMILESCC(CCc1ccc2c(c1)oc1ccccc12)N(O)C(N)=O
InChIInChI=1S/C17H18N2O3/c1-11(19(21)17(18)20)6-7-12-8-9-14-13-4-2-3-5-15(13)22-16(14)10-12/h2-5,8-11,21H,6-7H2,1H3,(H2,18,20)
InChIKeyAXDRESQHMBYLGW-UHFFFAOYSA-N
XLogP3.68
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
CID 21245321
3-ethyldibenzofuran
CID 58510747
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CID 167208490
1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
CID 21293764
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
5-dibenzofuran-2-yl-N,3-dimethylpentan-1-amine
CID 65304674
methyl (2S)-3-dibenzofuran-3-yl-2-[[(1S)-3-(3,4-dimethoxyphenyl)-1-dimethoxyphosphorylpropyl]amino]propanoate
CID 10578679
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
dibenzofuran;ethanol
CID 174821059
1,7-diethyldibenzofuran
CID 135251716
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea?
The IUPAC name of 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea (CID 21293770) is 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea.
What is the SMILES notation for 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea?
The canonical SMILES for 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea is CC(CCc1ccc2c(c1)oc1ccccc12)N(O)C(N)=O.
What is the InChIKey of 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea?
The InChIKey is AXDRESQHMBYLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(19(21)17(18)20)6-7-12-8-9-14-13-4-2-3-5-15(13)22-16(14)10-12/h2-5,8-11,21H,6-7H2,1H3,(H2,18,20).
What are the key properties of 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea?
1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea has a molecular weight of 298.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea is sourced from PubChem (CID 21293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).