1,3-bis(3-phenylprop-2-enyl)urea

C19H20N2O — CID 70405982

IUPAC1,3-bis(3-phenylprop-2-enyl)urea
SMILESO=C(NCC=Cc1ccccc1)NCC=Cc1ccccc1
InChIInChI=1S/C19H20N2O/c22-19(20-15-7-13-17-9-3-1-4-10-17)21-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,20,21,22)
InChIKeyFQDNSVXYJBECBY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.71
Rot. Bonds6

About 1,3-bis(3-phenylprop-2-enyl)urea

1,3-bis(3-phenylprop-2-enyl)urea (PubChem CID 70405982) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,3-bis(3-phenylprop-2-enyl)urea.

Molecular Properties

Compound Name1,3-bis(3-phenylprop-2-enyl)urea
PubChem CID70405982
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1,3-bis(3-phenylprop-2-enyl)urea
SMILESO=C(NCC=Cc1ccccc1)NCC=Cc1ccccc1
InChIInChI=1S/C19H20N2O/c22-19(20-15-7-13-17-9-3-1-4-10-17)21-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,20,21,22)
InChIKeyFQDNSVXYJBECBY-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-phenylprop-2-enyl)urea?
The IUPAC name of 1,3-bis(3-phenylprop-2-enyl)urea (CID 70405982) is 1,3-bis(3-phenylprop-2-enyl)urea.
What is the SMILES notation for 1,3-bis(3-phenylprop-2-enyl)urea?
The canonical SMILES for 1,3-bis(3-phenylprop-2-enyl)urea is O=C(NCC=Cc1ccccc1)NCC=Cc1ccccc1.
What is the InChIKey of 1,3-bis(3-phenylprop-2-enyl)urea?
The InChIKey is FQDNSVXYJBECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(20-15-7-13-17-9-3-1-4-10-17)21-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,20,21,22).
What are the key properties of 1,3-bis(3-phenylprop-2-enyl)urea?
1,3-bis(3-phenylprop-2-enyl)urea has a molecular weight of 292.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-phenylprop-2-enyl)urea is sourced from PubChem (CID 70405982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).