3-hydroxy-1-phenyl-1-propan-2-ylurea

C10H14N2O2 — CID 22717691

IUPAC3-hydroxy-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)NO)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-8(2)12(10(13)11-14)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,11,13)
InChIKeySPLRGERUTJSXAG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.00
Rot. Bonds2

About 3-hydroxy-1-phenyl-1-propan-2-ylurea

3-hydroxy-1-phenyl-1-propan-2-ylurea (PubChem CID 22717691) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-1-propan-2-ylurea
PubChem CID22717691
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-hydroxy-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)NO)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-8(2)12(10(13)11-14)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,11,13)
InChIKeySPLRGERUTJSXAG-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
1-chloro-3-hydroxy-1-phenylurea
CID 88781351
2-hydroxy-2-(methylsulfamoyl)-N-phenyl-N-propan-2-ylacetamide
CID 172839572
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-hydroxy-1-phenyl-1-propan-2-ylurea (CID 22717691) is 3-hydroxy-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-hydroxy-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-hydroxy-1-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)NO)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenyl-1-propan-2-ylurea?
The InChIKey is SPLRGERUTJSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)12(10(13)11-14)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,11,13).
What are the key properties of 3-hydroxy-1-phenyl-1-propan-2-ylurea?
3-hydroxy-1-phenyl-1-propan-2-ylurea has a molecular weight of 194.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 22717691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).