1,3-bis(1-phenylethyl)urea

C17H20N2O — CID 3291438

IUPAC1,3-bis(1-phenylethyl)urea
SMILESCC(NC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)
InChIKeyDECSQLJEZMEBEG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.81
Rot. Bonds4

About 1,3-bis(1-phenylethyl)urea

1,3-bis(1-phenylethyl)urea (PubChem CID 3291438) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,3-bis(1-phenylethyl)urea.

Molecular Properties

Compound Name1,3-bis(1-phenylethyl)urea
PubChem CID3291438
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,3-bis(1-phenylethyl)urea
SMILESCC(NC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)
InChIKeyDECSQLJEZMEBEG-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-phenylethyl)urea?
The IUPAC name of 1,3-bis(1-phenylethyl)urea (CID 3291438) is 1,3-bis(1-phenylethyl)urea.
What is the SMILES notation for 1,3-bis(1-phenylethyl)urea?
The canonical SMILES for 1,3-bis(1-phenylethyl)urea is CC(NC(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis(1-phenylethyl)urea?
The InChIKey is DECSQLJEZMEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20).
What are the key properties of 1,3-bis(1-phenylethyl)urea?
1,3-bis(1-phenylethyl)urea has a molecular weight of 268.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-phenylethyl)urea is sourced from PubChem (CID 3291438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).