1,3-dimethyl-1,3-diphenylurea

C15H16N2O — CID 11917

IUPAC1,3-dimethyl-1,3-diphenylurea
SMILESCN(C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyADCBKYIHQQCFHE-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.38
Rot. Bonds2

About 1,3-dimethyl-1,3-diphenylurea

1,3-dimethyl-1,3-diphenylurea (PubChem CID 11917) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diphenylurea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diphenylurea
PubChem CID11917
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,3-dimethyl-1,3-diphenylurea
SMILESCN(C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyADCBKYIHQQCFHE-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diphenylurea?
The IUPAC name of 1,3-dimethyl-1,3-diphenylurea (CID 11917) is 1,3-dimethyl-1,3-diphenylurea.
What is the SMILES notation for 1,3-dimethyl-1,3-diphenylurea?
The canonical SMILES for 1,3-dimethyl-1,3-diphenylurea is CN(C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-1,3-diphenylurea?
The InChIKey is ADCBKYIHQQCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diphenylurea?
1,3-dimethyl-1,3-diphenylurea has a molecular weight of 240.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diphenylurea is sourced from PubChem (CID 11917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).