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

C24H19N2O4- — CID 9074352

IUPAC2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C24H20N2O4/c1-17(20-13-8-14-21(15-20)30-16-22(27)28)25-26-23(18-9-4-2-5-10-18)24(29)19-11-6-3-7-12-19/h2-15H,16H2,1H3,(H,27,28)/p-1/b25-17-,26-23-
InChIKeyLJCMYISPGYYGTA-TXRKAJQRSA-M
MW399.43 g/mol
LogP2.91
Rot. Bonds8

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

2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate (PubChem CID 9074352) has the molecular formula C24H19N2O4- and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
PubChem CID9074352
Molecular FormulaC24H19N2O4-
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C24H20N2O4/c1-17(20-13-8-14-21(15-20)30-16-22(27)28)25-26-23(18-9-4-2-5-10-18)24(29)19-11-6-3-7-12-19/h2-15H,16H2,1H3,(H,27,28)/p-1/b25-17-,26-23-
InChIKeyLJCMYISPGYYGTA-TXRKAJQRSA-M
XLogP2.91
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate with MolForge

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Related Compounds

2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
2-(3-phenoxyphenoxy)acetate
CID 22411603
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
sodium 2-(3-bromophenoxy)acetate
CID 19205570
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9076810

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate (CID 9074352) is 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate is C/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(OCC(=O)[O-])c1.
What is the InChIKey of 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate?
The InChIKey is LJCMYISPGYYGTA-TXRKAJQRSA-M. The full InChI is InChI=1S/C24H20N2O4/c1-17(20-13-8-14-21(15-20)30-16-22(27)28)25-26-23(18-9-4-2-5-10-18)24(29)19-11-6-3-7-12-19/h2-15H,16H2,1H3,(H,27,28)/p-1/b25-17-,26-23-.
What are the key properties of 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate?
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate has a molecular weight of 399.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).