1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide

C50H40N2O4 — CID 43833720

IUPAC1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(N(C(=O)c2ccc(C(=O)N(c3ccc(C)cc3)C(C(=O)c3ccccc3)c3ccccc3)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2O4/c1-35-23-31-43(32-24-35)51(45(37-15-7-3-8-16-37)47(53)39-19-11-5-12-20-39)49(55)41-27-29-42(30-28-41)50(56)52(44-33-25-36(2)26-34-44)46(38-17-9-4-10-18-38)48(54)40-21-13-6-14-22-40/h3-34,45-46H,1-2H3
InChIKeyHODGLUBDIUDPHK-UHFFFAOYSA-N
MW732.88 g/mol
LogP10.85
Rot. Bonds12

About 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide (PubChem CID 43833720) has the molecular formula C50H40N2O4 and a molecular weight of 732.88 g/mol. Its IUPAC name is 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
PubChem CID43833720
Molecular FormulaC50H40N2O4
Molecular Weight732.88 g/mol
Exact Mass732.30
IUPAC Name1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(N(C(=O)c2ccc(C(=O)N(c3ccc(C)cc3)C(C(=O)c3ccccc3)c3ccccc3)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2O4/c1-35-23-31-43(32-24-35)51(45(37-15-7-3-8-16-37)47(53)39-19-11-5-12-20-39)49(55)41-27-29-42(30-28-41)50(56)52(44-33-25-36(2)26-34-44)46(38-17-9-4-10-18-38)48(54)40-21-13-6-14-22-40/h3-34,45-46H,1-2H3
InChIKeyHODGLUBDIUDPHK-UHFFFAOYSA-N
XLogP10.85
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.88
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
CID 174797413
N-(2-oxo-1,2-diphenylethyl)-N-phenylpyridine-2-carboxamide
CID 3847291
benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate
CID 24786782
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
CID 13213795
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
CID 101475849
(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione
CID 131847928
N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
CID 162689999
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
1-N,4-N-bis[(1R)-1-phenylethyl]-1-N,4-N-bis[4-(2-phenylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 101376470
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide (CID 43833720) is 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide is Cc1ccc(N(C(=O)c2ccc(C(=O)N(c3ccc(C)cc3)C(C(=O)c3ccccc3)c3ccccc3)cc2)C(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide?
The InChIKey is HODGLUBDIUDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2O4/c1-35-23-31-43(32-24-35)51(45(37-15-7-3-8-16-37)47(53)39-19-11-5-12-20-39)49(55)41-27-29-42(30-28-41)50(56)52(44-33-25-36(2)26-34-44)46(38-17-9-4-10-18-38)48(54)40-21-13-6-14-22-40/h3-34,45-46H,1-2H3.
What are the key properties of 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide has a molecular weight of 732.88 g/mol, XLogP of 10.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 43833720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).