1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea

C24H34N4O2 — CID 3094568

IUPAC1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H34N4O2/c29-23(27-19-15-21-11-5-3-6-12-21)25-17-9-1-2-10-18-26-24(30)28-20-16-22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyUNPTZWMCPBJMMZ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.63
Rot. Bonds13

About 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea

1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea (PubChem CID 3094568) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea
PubChem CID3094568
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H34N4O2/c29-23(27-19-15-21-11-5-3-6-12-21)25-17-9-1-2-10-18-26-24(30)28-20-16-22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyUNPTZWMCPBJMMZ-UHFFFAOYSA-N
XLogP3.63
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]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-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea (CID 3094568) is 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea is O=C(NCCCCCCNC(=O)NCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea?
The InChIKey is UNPTZWMCPBJMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-23(27-19-15-21-11-5-3-6-12-21)25-17-9-1-2-10-18-26-24(30)28-20-16-22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea?
1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea has a molecular weight of 410.56 g/mol, XLogP of 3.63, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea is sourced from PubChem (CID 3094568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).