N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide

C18H18N4O4 — CID 8990324

IUPACN'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
SMILESNC(=O)COc1cccc(/C=N\NC(=O)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H18N4O4/c19-16(23)12-26-15-8-4-7-14(9-15)11-21-22-18(25)17(24)20-10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H2,19,23)(H,20,24)(H,22,25)/b21-11-
InChIKeyLZKATFUMNAWQDP-NHDPSOOVSA-N
MW354.37 g/mol
LogP0.32
Rot. Bonds7

About N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide

N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide (PubChem CID 8990324) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
PubChem CID8990324
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
SMILESNC(=O)COc1cccc(/C=N\NC(=O)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H18N4O4/c19-16(23)12-26-15-8-4-7-14(9-15)11-21-22-18(25)17(24)20-10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H2,19,23)(H,20,24)(H,22,25)/b21-11-
InChIKeyLZKATFUMNAWQDP-NHDPSOOVSA-N
XLogP0.32
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide 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

N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propyloxamide
CID 8990323
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126254438
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8990322
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 8990330
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126279830
N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 5340243
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126172454
N'-[(Z)-[3-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126260073
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126272793
N'-[(Z)-[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126264030

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide?
The IUPAC name of N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide (CID 8990324) is N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide.
What is the SMILES notation for N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide?
The canonical SMILES for N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide is NC(=O)COc1cccc(/C=N\NC(=O)C(=O)NCc2ccccc2)c1.
What is the InChIKey of N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide?
The InChIKey is LZKATFUMNAWQDP-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H18N4O4/c19-16(23)12-26-15-8-4-7-14(9-15)11-21-22-18(25)17(24)20-10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H2,19,23)(H,20,24)(H,22,25)/b21-11-.
What are the key properties of N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide?
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide has a molecular weight of 354.37 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide is sourced from PubChem (CID 8990324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).