N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide

C24H21N3O2 — CID 9074410

IUPACN-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N=C(/C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21N3O2/c1-17(21-14-9-15-22(16-21)25-18(2)28)26-27-23(19-10-5-3-6-11-19)24(29)20-12-7-4-8-13-20/h3-16H,1-2H3,(H,25,28)/b26-17-,27-23-
InChIKeyMBSWVTYBNGEZMF-ARKBPZGMSA-N
MW383.45 g/mol
LogP4.74
Rot. Bonds6

About N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide

N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide (PubChem CID 9074410) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
PubChem CID9074410
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N=C(/C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21N3O2/c1-17(21-14-9-15-22(16-21)25-18(2)28)26-27-23(19-10-5-3-6-11-19)24(29)20-12-7-4-8-13-20/h3-16H,1-2H3,(H,25,28)/b26-17-,27-23-
InChIKeyMBSWVTYBNGEZMF-ARKBPZGMSA-N
XLogP4.74
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
1,3-bis[3-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea;hydrochloride
CID 54610529
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 11165294
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 146836699

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide (CID 9074410) is N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide is CC(=O)Nc1cccc(/C(C)=N\N=C(/C(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide?
The InChIKey is MBSWVTYBNGEZMF-ARKBPZGMSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(21-14-9-15-22(16-21)25-18(2)28)26-27-23(19-10-5-3-6-11-19)24(29)20-12-7-4-8-13-20/h3-16H,1-2H3,(H,25,28)/b26-17-,27-23-.
What are the key properties of N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide?
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 9074410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).