1,3-diethyl-1,3-diphenylurea

C17H20N2O — CID 6828

IUPAC1,3-diethyl-1,3-diphenylurea
SMILESCCN(C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyPZIMIYVOZBTARW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.16
Rot. Bonds4

About 1,3-diethyl-1,3-diphenylurea

1,3-diethyl-1,3-diphenylurea (PubChem CID 6828) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,3-diethyl-1,3-diphenylurea.

Molecular Properties

Compound Name1,3-diethyl-1,3-diphenylurea
PubChem CID6828
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,3-diethyl-1,3-diphenylurea
SMILESCCN(C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyPZIMIYVOZBTARW-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3-diphenylurea?
The IUPAC name of 1,3-diethyl-1,3-diphenylurea (CID 6828) is 1,3-diethyl-1,3-diphenylurea.
What is the SMILES notation for 1,3-diethyl-1,3-diphenylurea?
The canonical SMILES for 1,3-diethyl-1,3-diphenylurea is CCN(C(=O)N(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diethyl-1,3-diphenylurea?
The InChIKey is PZIMIYVOZBTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3-diphenylurea?
1,3-diethyl-1,3-diphenylurea has a molecular weight of 268.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3-diphenylurea is sourced from PubChem (CID 6828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).