1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea

C12H16N2O2 — CID 116658389

IUPAC1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
SMILESCc1c(O)cccc1NC(=O)NC1CCC1
InChIInChI=1S/C12H16N2O2/c1-8-10(6-3-7-11(8)15)14-12(16)13-9-4-2-5-9/h3,6-7,9,15H,2,4-5H2,1H3,(H2,13,14,16)
InChIKeyNQKYYGJBVICCKF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.37
Rot. Bonds2

About 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea

1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea (PubChem CID 116658389) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
PubChem CID116658389
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
SMILESCc1c(O)cccc1NC(=O)NC1CCC1
InChIInChI=1S/C12H16N2O2/c1-8-10(6-3-7-11(8)15)14-12(16)13-9-4-2-5-9/h3,6-7,9,15H,2,4-5H2,1H3,(H2,13,14,16)
InChIKeyNQKYYGJBVICCKF-UHFFFAOYSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
CID 64795110
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 62948908
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea (CID 116658389) is 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea is Cc1c(O)cccc1NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea?
The InChIKey is NQKYYGJBVICCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-10(6-3-7-11(8)15)14-12(16)13-9-4-2-5-9/h3,6-7,9,15H,2,4-5H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea?
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea has a molecular weight of 220.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 116658389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).