N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide

C30H27N3O — CID 14969682

IUPACN-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide
SMILESC/N=C(/N/C(=C(\c1ccccc1)N(C)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N3O/c1-31-29(25-19-11-5-12-20-25)32-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)33(2)30(34)26-21-13-6-14-22-26/h3-22H,1-2H3,(H,31,32)/b28-27+
InChIKeyJWRLZFZKIQAZGG-BYYHNAKLSA-N
MW445.57 g/mol
LogP5.95
Rot. Bonds6

About N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide

N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide (PubChem CID 14969682) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide
PubChem CID14969682
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC NameN-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide
SMILESC/N=C(/N/C(=C(\c1ccccc1)N(C)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N3O/c1-31-29(25-19-11-5-12-20-25)32-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)33(2)30(34)26-21-13-6-14-22-26/h3-22H,1-2H3,(H,31,32)/b28-27+
InChIKeyJWRLZFZKIQAZGG-BYYHNAKLSA-N
XLogP5.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
CID 135898797
N-methyl-N-[methyl(nitroso)carbamoyl]benzamide
CID 86035240
[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
CID 10381571
3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
CID 135603545
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
CID 71127944
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide?
The IUPAC name of N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide (CID 14969682) is N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide.
What is the SMILES notation for N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide?
The canonical SMILES for N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide is C/N=C(/N/C(=C(\c1ccccc1)N(C)C(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide?
The InChIKey is JWRLZFZKIQAZGG-BYYHNAKLSA-N. The full InChI is InChI=1S/C30H27N3O/c1-31-29(25-19-11-5-12-20-25)32-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)33(2)30(34)26-21-13-6-14-22-26/h3-22H,1-2H3,(H,31,32)/b28-27+.
What are the key properties of N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide?
N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide is sourced from PubChem (CID 14969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).