2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

C19H16N2O8-2 — CID 4617566

IUPAC2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)[O-])c(OCC(=O)[O-])c2)cc1
InChIInChI=1S/C19H18N2O8/c1-27-14-5-3-13(4-6-14)19(26)21-20-9-12-2-7-15(28-10-17(22)23)16(8-12)29-11-18(24)25/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-2
InChIKeyHWVIEXUMHZOJRW-UHFFFAOYSA-L
MW400.34 g/mol
LogP-1.28
Rot. Bonds10

About 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 4617566) has the molecular formula C19H16N2O8-2 and a molecular weight of 400.34 g/mol. Its IUPAC name is 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID4617566
Molecular FormulaC19H16N2O8-2
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)[O-])c(OCC(=O)[O-])c2)cc1
InChIInChI=1S/C19H18N2O8/c1-27-14-5-3-13(4-6-14)19(26)21-20-9-12-2-7-15(28-10-17(22)23)16(8-12)29-11-18(24)25/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-2
InChIKeyHWVIEXUMHZOJRW-UHFFFAOYSA-L
XLogP-1.28
TPSA149.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6872882
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126015220
[2-ethoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5044572
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 4617566) is 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)[O-])c(OCC(=O)[O-])c2)cc1.
What is the InChIKey of 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is HWVIEXUMHZOJRW-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H18N2O8/c1-27-14-5-3-13(4-6-14)19(26)21-20-9-12-2-7-15(28-10-17(22)23)16(8-12)29-11-18(24)25/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-2.
What are the key properties of 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 400.34 g/mol, XLogP of -1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 4617566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).