1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea

C11H16N2O2 — CID 22947333

IUPAC1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-12-11(15)13-9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyNFBSOKBOKIYUFD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea

1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea (PubChem CID 22947333) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
PubChem CID22947333
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-12-11(15)13-9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyNFBSOKBOKIYUFD-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
CID 108895351
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea (CID 22947333) is 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea?
The InChIKey is NFBSOKBOKIYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)7-12-11(15)13-9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea?
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea has a molecular weight of 208.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 22947333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).