1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea

C11H14N2O3 — CID 108894947

IUPAC1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)5-6-12-11(16)13-9-3-2-4-10(15)7-9/h2-4,7,15H,5-6H2,1H3,(H2,12,13,16)
InChIKeyRBALIWFAJYEEDN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.49
Rot. Bonds4

About 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea

1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea (PubChem CID 108894947) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
PubChem CID108894947
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)5-6-12-11(16)13-9-3-2-4-10(15)7-9/h2-4,7,15H,5-6H2,1H3,(H2,12,13,16)
InChIKeyRBALIWFAJYEEDN-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-(3-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032873

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea (CID 108894947) is 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea?
The InChIKey is RBALIWFAJYEEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)5-6-12-11(16)13-9-3-2-4-10(15)7-9/h2-4,7,15H,5-6H2,1H3,(H2,12,13,16).
What are the key properties of 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea?
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea has a molecular weight of 222.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).