N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide

C29H30N2O4 — CID 118873019

IUPACN-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCOc1ccc(/C(=C(/CCNC(=O)C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N2O4/c1-34-25-14-12-24(13-15-25)27(23-10-6-3-7-11-23)26(22-8-4-2-5-9-22)16-17-30-28(32)29(33)31-18-20-35-21-19-31/h2-15H,16-21H2,1H3,(H,30,32)/b27-26-
InChIKeyGBFLXUGVYYLGEO-RQZHXJHFSA-N
MW470.57 g/mol
LogP4.02
Rot. Bonds7

About N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide

N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 118873019) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID118873019
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC NameN-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCOc1ccc(/C(=C(/CCNC(=O)C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N2O4/c1-34-25-14-12-24(13-15-25)27(23-10-6-3-7-11-23)26(22-8-4-2-5-9-22)16-17-30-28(32)29(33)31-18-20-35-21-19-31/h2-15H,16-21H2,1H3,(H,30,32)/b27-26-
InChIKeyGBFLXUGVYYLGEO-RQZHXJHFSA-N
XLogP4.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130276115
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130275872
1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873032
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
CID 124741961
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
N-[C-(4-methoxyphenyl)-N-phenacylcarbonimidoyl]morpholine-4-carbothioamide
CID 10548842
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-morpholin-4-yl-N-naphthalen-1-yl-2-oxoacetamide
CID 7333640

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide (CID 118873019) is N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide is COc1ccc(/C(=C(/CCNC(=O)C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is GBFLXUGVYYLGEO-RQZHXJHFSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-34-25-14-12-24(13-15-25)27(23-10-6-3-7-11-23)26(22-8-4-2-5-9-22)16-17-30-28(32)29(33)31-18-20-35-21-19-31/h2-15H,16-21H2,1H3,(H,30,32)/b27-26-.
What are the key properties of N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide?
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 470.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 118873019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).