3-ethyl-1,1-diphenylurea

C15H16N2O — CID 28929

IUPAC3-ethyl-1,1-diphenylurea
SMILESCCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-2-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18)
InChIKeyDIPWJRHVODJXKP-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.55
Rot. Bonds3

About 3-ethyl-1,1-diphenylurea

3-ethyl-1,1-diphenylurea (PubChem CID 28929) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-ethyl-1,1-diphenylurea.

Molecular Properties

Compound Name3-ethyl-1,1-diphenylurea
PubChem CID28929
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-ethyl-1,1-diphenylurea
SMILESCCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-2-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18)
InChIKeyDIPWJRHVODJXKP-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
Siduron
CID 16116
Carbanilide
CID 7595
Fenuron
CID 7560
N-Methyl-N',N'-diphenylurea
CID 25711
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1,1-Diphenylurea
CID 33603
N-Cyclopentyl-N'-phenylurea
CID 25740

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-diphenylurea?
The IUPAC name of 3-ethyl-1,1-diphenylurea (CID 28929) is 3-ethyl-1,1-diphenylurea.
What is the SMILES notation for 3-ethyl-1,1-diphenylurea?
The canonical SMILES for 3-ethyl-1,1-diphenylurea is CCNC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethyl-1,1-diphenylurea?
The InChIKey is DIPWJRHVODJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-16-15(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-ethyl-1,1-diphenylurea?
3-ethyl-1,1-diphenylurea has a molecular weight of 240.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-diphenylurea is sourced from PubChem (CID 28929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).