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

C31H34N2O3 — CID 130275872

IUPACN'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
SMILESCOc1ccc(C(=C(CCNC(=O)C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34N2O3/c1-36-27-19-17-25(18-20-27)29(24-13-7-3-8-14-24)28(23-11-5-2-6-12-23)21-22-32-30(34)31(35)33-26-15-9-4-10-16-26/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3,(H,32,34)(H,33,35)
InChIKeyUNTJMBCACWIUSL-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.61
Rot. Bonds8

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

N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide (PubChem CID 130275872) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
PubChem CID130275872
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC NameN'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
SMILESCOc1ccc(C(=C(CCNC(=O)C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34N2O3/c1-36-27-19-17-25(18-20-27)29(24-13-7-3-8-14-24)28(23-11-5-2-6-12-23)21-22-32-30(34)31(35)33-26-15-9-4-10-16-26/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3,(H,32,34)(H,33,35)
InChIKeyUNTJMBCACWIUSL-UHFFFAOYSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.61
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

N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2930228
1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873032
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
1-(4-methoxyphenyl)-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]thiourea
CID 118887605
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
N-cyclohexyl-2-[(4-methoxybenzoyl)-methylamino]benzamide
CID 4779078
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide (CID 130275872) is N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide is COc1ccc(C(=C(CCNC(=O)C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
The InChIKey is UNTJMBCACWIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-36-27-19-17-25(18-20-27)29(24-13-7-3-8-14-24)28(23-11-5-2-6-12-23)21-22-32-30(34)31(35)33-26-15-9-4-10-16-26/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide?
N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide has a molecular weight of 482.62 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide is sourced from PubChem (CID 130275872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).