1,3-diphenylpropylurea

C16H18N2O — CID 2852115

IUPAC1,3-diphenylpropylurea
SMILESNC(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c17-16(19)18-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H3,17,18,19)
InChIKeyGAHGUTQKHNHYJG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.03
Rot. Bonds5

About 1,3-diphenylpropylurea

1,3-diphenylpropylurea (PubChem CID 2852115) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-diphenylpropylurea.

Molecular Properties

Compound Name1,3-diphenylpropylurea
PubChem CID2852115
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1,3-diphenylpropylurea
SMILESNC(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c17-16(19)18-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H3,17,18,19)
InChIKeyGAHGUTQKHNHYJG-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropylurea?
The IUPAC name of 1,3-diphenylpropylurea (CID 2852115) is 1,3-diphenylpropylurea.
What is the SMILES notation for 1,3-diphenylpropylurea?
The canonical SMILES for 1,3-diphenylpropylurea is NC(=O)NC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropylurea?
The InChIKey is GAHGUTQKHNHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(19)18-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H3,17,18,19).
What are the key properties of 1,3-diphenylpropylurea?
1,3-diphenylpropylurea has a molecular weight of 254.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropylurea is sourced from PubChem (CID 2852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).