3-ethoxy-1,1-diphenylurea

C15H16N2O2 — CID 162373128

IUPAC3-ethoxy-1,1-diphenylurea
SMILESCCONC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-19-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18)
InChIKeyXLGPWBOHKVTPNI-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.49
Rot. Bonds4

About 3-ethoxy-1,1-diphenylurea

3-ethoxy-1,1-diphenylurea (PubChem CID 162373128) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-ethoxy-1,1-diphenylurea.

Molecular Properties

Compound Name3-ethoxy-1,1-diphenylurea
PubChem CID162373128
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-ethoxy-1,1-diphenylurea
SMILESCCONC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-19-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18)
InChIKeyXLGPWBOHKVTPNI-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1,1-diphenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;1,1-diphenylurea
CID 70397101
N-phenylpropanehydrazide
CID 18522904
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
ethyl N,N-diphenylcarbamate;isocyanic acid
CID 87547778
ethyl (Z)-3-hydroxy-2-(N-phenylanilino)but-2-enoate
CID 54687376
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl N-[[amino-(N-phenylanilino)methylidene]amino]carbamate
CID 3415463
CID 159685847
CID 159685847
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
3-ethoxy-2-oxo-N,N-diphenylbutanamide
CID 174477182

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1-diphenylurea?
The IUPAC name of 3-ethoxy-1,1-diphenylurea (CID 162373128) is 3-ethoxy-1,1-diphenylurea.
What is the SMILES notation for 3-ethoxy-1,1-diphenylurea?
The canonical SMILES for 3-ethoxy-1,1-diphenylurea is CCONC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethoxy-1,1-diphenylurea?
The InChIKey is XLGPWBOHKVTPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18).
What are the key properties of 3-ethoxy-1,1-diphenylurea?
3-ethoxy-1,1-diphenylurea has a molecular weight of 256.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1-diphenylurea is sourced from PubChem (CID 162373128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).