1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea

C31H30N2O2 — CID 118873032

IUPAC1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
SMILESCOc1ccc(/C(=C(/CCNC(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-35-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-32-31(34)33-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H2,32,33,34)/b30-29-
InChIKeyDAWZSYADXWSKOI-FLWNBWAVSA-N
MW462.59 g/mol
LogP6.54
Rot. Bonds9

About 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea

1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea (PubChem CID 118873032) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
PubChem CID118873032
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
SMILESCOc1ccc(/C(=C(/CCNC(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-35-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-32-31(34)33-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H2,32,33,34)/b30-29-
InChIKeyDAWZSYADXWSKOI-FLWNBWAVSA-N
XLogP6.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130276115
1-(4-methoxyphenyl)-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]thiourea
CID 118887605
N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130275872
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
CID 118873019
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
CID 158143687
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea?
The IUPAC name of 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea (CID 118873032) is 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea.
What is the SMILES notation for 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea?
The canonical SMILES for 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea is COc1ccc(/C(=C(/CCNC(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea?
The InChIKey is DAWZSYADXWSKOI-FLWNBWAVSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-35-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-32-31(34)33-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H2,32,33,34)/b30-29-.
What are the key properties of 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea?
1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea has a molecular weight of 462.59 g/mol, XLogP of 6.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea is sourced from PubChem (CID 118873032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).