1-ethyl-3-(2-phenylpent-4-enyl)urea

C14H20N2O — CID 135072480

IUPAC1-ethyl-3-(2-phenylpent-4-enyl)urea
SMILESC=CCC(CNC(=O)NCC)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-8-13(11-16-14(17)15-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H2,15,16,17)
InChIKeyDBZVTCQWRRGYOG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds6

About 1-ethyl-3-(2-phenylpent-4-enyl)urea

1-ethyl-3-(2-phenylpent-4-enyl)urea (PubChem CID 135072480) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylpent-4-enyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylpent-4-enyl)urea
PubChem CID135072480
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-ethyl-3-(2-phenylpent-4-enyl)urea
SMILESC=CCC(CNC(=O)NCC)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-8-13(11-16-14(17)15-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H2,15,16,17)
InChIKeyDBZVTCQWRRGYOG-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(2-phenylpent-4-enyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylpent-4-enyl)urea?
The IUPAC name of 1-ethyl-3-(2-phenylpent-4-enyl)urea (CID 135072480) is 1-ethyl-3-(2-phenylpent-4-enyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-phenylpent-4-enyl)urea?
The canonical SMILES for 1-ethyl-3-(2-phenylpent-4-enyl)urea is C=CCC(CNC(=O)NCC)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-phenylpent-4-enyl)urea?
The InChIKey is DBZVTCQWRRGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-13(11-16-14(17)15-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(2-phenylpent-4-enyl)urea?
1-ethyl-3-(2-phenylpent-4-enyl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylpent-4-enyl)urea is sourced from PubChem (CID 135072480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).