N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide

C33H29NO2 — CID 12729552

IUPACN-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide
SMILESCOC1(c2ccccc2)C=C(c2ccccc2)C(C)(NC(=O)c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C33H29NO2/c1-32(34-31(35)27-19-11-5-12-20-27)29(25-15-7-3-8-16-25)23-33(36-2,28-21-13-6-14-22-28)24-30(32)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,34,35)
InChIKeyGBPLEGANPDOILJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.90
Rot. Bonds6

About N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide

N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide (PubChem CID 12729552) has the molecular formula C33H29NO2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide
PubChem CID12729552
Molecular FormulaC33H29NO2
Molecular Weight471.60 g/mol
Exact Mass471.22
IUPAC NameN-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide
SMILESCOC1(c2ccccc2)C=C(c2ccccc2)C(C)(NC(=O)c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C33H29NO2/c1-32(34-31(35)27-19-11-5-12-20-27)29(25-15-7-3-8-16-25)23-33(36-2,28-21-13-6-14-22-28)24-30(32)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,34,35)
InChIKeyGBPLEGANPDOILJ-UHFFFAOYSA-N
XLogP6.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]benzoate
CID 90681443
4-(2-Diphenylacetylamino-2-phenyl-ethyl)-benzoic acid methyl ester
CID 10026731
N-[(3S,4R)-3-benzyl-6-(4-fluorophenyl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide
CID 135005700
N-[(3S,4R)-3-benzyl-4-(4-fluorophenyl)-2-oxo-6-phenyl-4H-pyran-3-yl]benzamide
CID 135006238
Ethyl 4-[4-(tert-butylcarbamoyl)phenyl]benzoate
CID 89947484
N-(1-[2-(2,6-Difluorobenzyloxy)-4-methylcyclohex-3-enyl]-1-methylethyl)benzamide
CID 570936
2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide
CID 57201300
Methyl 4-[[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]benzoate
CID 58897953
N-(7-amino-7-oxoheptyl)-4-[bis(4-fluorophenyl)-methoxymethyl]benzamide
CID 68022725
Methyl 2-fluoro-5-[1-[3-fluoro-5-(2,2,3,3-tetrafluoropropyl)phenyl]-1-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-phenylethyl]benzoate
CID 89955980
1-[3-[(1R,2R)-2-fluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]ethyl carbamate
CID 140633341
ethane;methyl 4-[(2R)-2-[4-fluoro-3-(2-methylpropyl)phenyl]-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]benzoate
CID 143471856

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide?
The IUPAC name of N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide (CID 12729552) is N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide.
What is the SMILES notation for N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide?
The canonical SMILES for N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide is COC1(c2ccccc2)C=C(c2ccccc2)C(C)(NC(=O)c2ccccc2)C(c2ccccc2)=C1.
What is the InChIKey of N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide?
The InChIKey is GBPLEGANPDOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO2/c1-32(34-31(35)27-19-11-5-12-20-27)29(25-15-7-3-8-16-25)23-33(36-2,28-21-13-6-14-22-28)24-30(32)26-17-9-4-10-18-26/h3-24H,1-2H3,(H,34,35).
What are the key properties of N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide?
N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide has a molecular weight of 471.60 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)benzamide is sourced from PubChem (CID 12729552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).