3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

C30H36N4O — CID 69028802

IUPAC3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(Cc1cccc(-c2ccccc2)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C30H36N4O/c1-25(22-33-19-17-31-18-20-33)23-34(30(35)32-16-15-26-9-4-2-5-10-26)24-27-11-8-14-29(21-27)28-12-6-3-7-13-28/h2-14,21,31H,1,15-20,22-24H2,(H,32,35)
InChIKeyQNASFLRRQBXHRF-UHFFFAOYSA-N
MW468.65 g/mol
LogP4.57
Rot. Bonds10

About 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (PubChem CID 69028802) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.

Molecular Properties

Compound Name3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
PubChem CID69028802
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(Cc1cccc(-c2ccccc2)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C30H36N4O/c1-25(22-33-19-17-31-18-20-33)23-34(30(35)32-16-15-26-9-4-2-5-10-26)24-27-11-8-14-29(21-27)28-12-6-3-7-13-28/h2-14,21,31H,1,15-20,22-24H2,(H,32,35)
InChIKeyQNASFLRRQBXHRF-UHFFFAOYSA-N
XLogP4.57
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-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

Related Compounds

3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10203525
1-[2-(dimethylamino)ethyl]-1-[[3-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]-3-(2-phenylethyl)urea
CID 44534970
methyl 3-[[2-[2-(3-methylphenyl)ethylamino]ethyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate
CID 10300247
3-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10208034
1-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1-[[3-[3-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]urea
CID 44534918
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10277770
1,1,3-tris(2-phenylethyl)urea
CID 123287811
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
CID 117269462
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The IUPAC name of 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (CID 69028802) is 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.
What is the SMILES notation for 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The canonical SMILES for 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is C=C(CN1CCNCC1)CN(Cc1cccc(-c2ccccc2)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The InChIKey is QNASFLRRQBXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-25(22-33-19-17-31-18-20-33)23-34(30(35)32-16-15-26-9-4-2-5-10-26)24-27-11-8-14-29(21-27)28-12-6-3-7-13-28/h2-14,21,31H,1,15-20,22-24H2,(H,32,35).
What are the key properties of 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea has a molecular weight of 468.65 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is sourced from PubChem (CID 69028802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).