1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea

C15H24N2O3 — CID 108895483

IUPAC1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-7-17(8-6-4-2)15(20)16-12-9-13(18)11-14(19)10-12/h9-11,18-19H,3-8H2,1-2H3,(H,16,20)
InChIKeyKBJIRHOIOQSLCR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.53
Rot. Bonds7

About 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea

1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea (PubChem CID 108895483) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
PubChem CID108895483
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-7-17(8-6-4-2)15(20)16-12-9-13(18)11-14(19)10-12/h9-11,18-19H,3-8H2,1-2H3,(H,16,20)
InChIKeyKBJIRHOIOQSLCR-UHFFFAOYSA-N
XLogP3.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 2758054
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 45156372
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 127585442
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea (CID 108895483) is 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea is CCCCN(CCCC)C(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea?
The InChIKey is KBJIRHOIOQSLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-7-17(8-6-4-2)15(20)16-12-9-13(18)11-14(19)10-12/h9-11,18-19H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea?
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea is sourced from PubChem (CID 108895483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).