N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide

C30H26N2O2 — CID 134109031

IUPACN-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(/C=C/c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c1-31(27-9-5-3-6-10-27)29(33)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)30(34)32(2)28-11-7-4-8-12-28/h3-22H,1-2H3/b14-13+
InChIKeyNHYPLUHYBILDTB-BUHFOSPRSA-N
MW446.55 g/mol
LogP6.41
Rot. Bonds6

About N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide

N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide (PubChem CID 134109031) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
PubChem CID134109031
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC NameN-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(/C=C/c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c1-31(27-9-5-3-6-10-27)29(33)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)30(34)32(2)28-11-7-4-8-12-28/h3-22H,1-2H3/b14-13+
InChIKeyNHYPLUHYBILDTB-BUHFOSPRSA-N
XLogP6.41
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 ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-phenylbenzamide
CID 4306081
4-isocyano-N-methyl-N-phenylbenzamide
CID 58453064
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
4-isocyanato-N-methyl-N-phenylbenzamide
CID 169355028
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide (CID 134109031) is N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide is CN(C(=O)c1ccc(/C=C/c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide?
The InChIKey is NHYPLUHYBILDTB-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-31(27-9-5-3-6-10-27)29(33)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)30(34)32(2)28-11-7-4-8-12-28/h3-22H,1-2H3/b14-13+.
What are the key properties of N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide?
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide is sourced from PubChem (CID 134109031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).