methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate

C19H18N2O5 — CID 59168805

IUPACmethyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate
SMILESCOC(=O)CC(=O)N(/N=C/c1ccccc1)c1ccccc1C(=O)OC
InChIInChI=1S/C19H18N2O5/c1-25-18(23)12-17(22)21(20-13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19(24)26-2/h3-11,13H,12H2,1-2H3/b20-13+
InChIKeyYZNCCQDFJKYGHM-DEDYPNTBSA-N
MW354.36 g/mol
LogP2.40
Rot. Bonds6

About methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate

methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate (PubChem CID 59168805) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate
PubChem CID59168805
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate
SMILESCOC(=O)CC(=O)N(/N=C/c1ccccc1)c1ccccc1C(=O)OC
InChIInChI=1S/C19H18N2O5/c1-25-18(23)12-17(22)21(20-13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19(24)26-2/h3-11,13H,12H2,1-2H3/b20-13+
InChIKeyYZNCCQDFJKYGHM-DEDYPNTBSA-N
XLogP2.40
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate 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

methyl 2-[[(E)-benzylideneamino]-(3-ethoxy-3-oxopropanoyl)amino]benzoate
CID 87254958
methyl 3-[(benzylideneamino)-(3-ethoxy-3-oxopropanoyl)amino]thiophene-2-carboxylate
CID 67063420
methyl 2-(benzylideneamino)acetate
CID 132550307
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
methyl 2-[chloro(methoxy)amino]benzoate
CID 153305529
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[(chloroamino)-ethoxyamino]benzoate
CID 87552435
methyl 4-[(diphenylhydrazinylidene)methyl]benzoate
CID 5187336
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate?
The IUPAC name of methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate (CID 59168805) is methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate?
The canonical SMILES for methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate is COC(=O)CC(=O)N(/N=C/c1ccccc1)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate?
The InChIKey is YZNCCQDFJKYGHM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-18(23)12-17(22)21(20-13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19(24)26-2/h3-11,13H,12H2,1-2H3/b20-13+.
What are the key properties of methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate?
methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-benzylideneamino]-(3-methoxy-3-oxopropanoyl)amino]benzoate is sourced from PubChem (CID 59168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).