1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea

C11H16N2O3 — CID 108895351

IUPAC1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)6-12-11(16)13-8-3-9(14)5-10(15)4-8/h3-5,7,14-15H,6H2,1-2H3,(H2,12,13,16)
InChIKeyFZKXVEIHCYJABD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.88
Rot. Bonds3

About 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea

1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea (PubChem CID 108895351) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
PubChem CID108895351
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)6-12-11(16)13-8-3-9(14)5-10(15)4-8/h3-5,7,14-15H,6H2,1-2H3,(H2,12,13,16)
InChIKeyFZKXVEIHCYJABD-UHFFFAOYSA-N
XLogP1.88
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(2,2-diethoxyethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895659
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
1-(2-chloroethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895408
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
1-(2-hydroxypropyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871812
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
CID 14625226
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea (CID 108895351) is 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea?
The InChIKey is FZKXVEIHCYJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)6-12-11(16)13-8-3-9(14)5-10(15)4-8/h3-5,7,14-15H,6H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea?
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea has a molecular weight of 224.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 108895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).