1-phenyl-1-(1-phenylpropan-2-yloxy)urea

C16H18N2O2 — CID 88763231

IUPAC1-phenyl-1-(1-phenylpropan-2-yloxy)urea
SMILESCC(Cc1ccccc1)ON(C(N)=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13(12-14-8-4-2-5-9-14)20-18(16(17)19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,19)
InChIKeyIOSPZVOAKOQVJS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.13
Rot. Bonds5

About 1-phenyl-1-(1-phenylpropan-2-yloxy)urea

1-phenyl-1-(1-phenylpropan-2-yloxy)urea (PubChem CID 88763231) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-phenyl-1-(1-phenylpropan-2-yloxy)urea.

Molecular Properties

Compound Name1-phenyl-1-(1-phenylpropan-2-yloxy)urea
PubChem CID88763231
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-phenyl-1-(1-phenylpropan-2-yloxy)urea
SMILESCC(Cc1ccccc1)ON(C(N)=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13(12-14-8-4-2-5-9-14)20-18(16(17)19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,19)
InChIKeyIOSPZVOAKOQVJS-UHFFFAOYSA-N
XLogP3.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-phenylurea
CID 15620442
(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
1-phenylpropan-2-yl 3-aminobut-2-enoate
CID 70398022
methyl 2-methyl-3-phenylpropanoate
CID 11105919
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
(N-carbamoylanilino)oxy-ethylphosphinic acid
CID 90007837
3-aminooxy-4-phenylbutan-2-one
CID 177137013
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(1-phenylpropan-2-yloxy)urea?
The IUPAC name of 1-phenyl-1-(1-phenylpropan-2-yloxy)urea (CID 88763231) is 1-phenyl-1-(1-phenylpropan-2-yloxy)urea.
What is the SMILES notation for 1-phenyl-1-(1-phenylpropan-2-yloxy)urea?
The canonical SMILES for 1-phenyl-1-(1-phenylpropan-2-yloxy)urea is CC(Cc1ccccc1)ON(C(N)=O)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(1-phenylpropan-2-yloxy)urea?
The InChIKey is IOSPZVOAKOQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13(12-14-8-4-2-5-9-14)20-18(16(17)19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,19).
What are the key properties of 1-phenyl-1-(1-phenylpropan-2-yloxy)urea?
1-phenyl-1-(1-phenylpropan-2-yloxy)urea has a molecular weight of 270.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(1-phenylpropan-2-yloxy)urea is sourced from PubChem (CID 88763231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).