N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide

C32H30N2O3 — CID 130276115

IUPACN'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
SMILESCOc1ccc(C(=C(CCNC(=O)C(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-33-31(35)32(36)34-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H,33,35)(H,34,36)
InChIKeyYPRSSAMVWWQNDL-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.48
Rot. Bonds9

About N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide

N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide (PubChem CID 130276115) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
PubChem CID130276115
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC NameN'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
SMILESCOc1ccc(C(=C(CCNC(=O)C(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-33-31(35)32(36)34-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H,33,35)(H,34,36)
InChIKeyYPRSSAMVWWQNDL-UHFFFAOYSA-N
XLogP5.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873032
N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130275872
1-(4-methoxyphenyl)-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]thiourea
CID 118887605
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
CID 118873019
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
CID 158143687
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The IUPAC name of N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide (CID 130276115) is N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The canonical SMILES for N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide is COc1ccc(C(=C(CCNC(=O)C(=O)NCc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The InChIKey is YPRSSAMVWWQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30(26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)21-22-33-31(35)32(36)34-23-24-11-5-2-6-12-24/h2-20H,21-23H2,1H3,(H,33,35)(H,34,36).
What are the key properties of N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide has a molecular weight of 490.60 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide is sourced from PubChem (CID 130276115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).