N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide

C30H26N2O2 — CID 13213795

IUPACN-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
SMILESC=C(N(C(=O)c1ccccc1)c1ccc(C)cc1)N(C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C30H26N2O2/c1-22-14-18-27(19-15-22)31(29(33)25-10-6-4-7-11-25)24(3)32(28-20-16-23(2)17-21-28)30(34)26-12-8-5-9-13-26/h4-21H,3H2,1-2H3
InChIKeyPURZHEHXCGYSJY-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.77
Rot. Bonds6

About N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide

N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide (PubChem CID 13213795) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
PubChem CID13213795
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC NameN-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
SMILESC=C(N(C(=O)c1ccccc1)c1ccc(C)cc1)N(C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C30H26N2O2/c1-22-14-18-27(19-15-22)31(29(33)25-10-6-4-7-11-25)24(3)32(28-20-16-23(2)17-21-28)30(34)26-12-8-5-9-13-26/h4-21H,3H2,1-2H3
InChIKeyPURZHEHXCGYSJY-UHFFFAOYSA-N
XLogP6.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N-acetyl-4-methyl-N-(4-methylphenyl)benzamide
CID 163721412
N-benzoyl-4-methylbenzohydrazide
CID 174274321
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706
N-(4-methylphenyl)-N-(2-phenylethenyl)benzamide
CID 174311463
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 43833720
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
N-phenyl-N-propanoylbenzamide
CID 13029157
S-phenyl N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)carbamothioate
CID 12842076
(E)-2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-phenylacetyl)but-2-enamide
CID 138968307

Frequently Asked Questions

What is the IUPAC name of N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide (CID 13213795) is N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide is C=C(N(C(=O)c1ccccc1)c1ccc(C)cc1)N(C(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide?
The InChIKey is PURZHEHXCGYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-22-14-18-27(19-15-22)31(29(33)25-10-6-4-7-11-25)24(3)32(28-20-16-23(2)17-21-28)30(34)26-12-8-5-9-13-26/h4-21H,3H2,1-2H3.
What are the key properties of N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide?
N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 13213795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).