N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide

C19H19ClN4O5 — CID 8990204

IUPACN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H19ClN4O5/c1-2-28-16-6-4-3-5-14(16)23-18(26)19(27)24-22-10-12-9-13(20)7-8-15(12)29-11-17(21)25/h3-10H,2,11H2,1H3,(H2,21,25)(H,23,26)(H,24,27)/b22-10-
InChIKeyZMDFSDJFBUYLNG-YVNNLAQVSA-N
MW418.84 g/mol
LogP1.69
Rot. Bonds8

About N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide

N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (PubChem CID 8990204) has the molecular formula C19H19ClN4O5 and a molecular weight of 418.84 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
PubChem CID8990204
Molecular FormulaC19H19ClN4O5
Molecular Weight418.84 g/mol
Exact Mass418.10
IUPAC NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H19ClN4O5/c1-2-28-16-6-4-3-5-14(16)23-18(26)19(27)24-22-10-12-9-13(20)7-8-15(12)29-11-17(21)25/h3-10H,2,11H2,1H3,(H2,21,25)(H,23,26)(H,24,27)/b22-10-
InChIKeyZMDFSDJFBUYLNG-YVNNLAQVSA-N
XLogP1.69
TPSA132.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126164070
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126277329
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 8990189
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 8990173
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126276759
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(2-ethoxyphenyl)-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260646
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
2-[4-chloro-2-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989649

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (CID 8990204) is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(N)=O.
What is the InChIKey of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The InChIKey is ZMDFSDJFBUYLNG-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H19ClN4O5/c1-2-28-16-6-4-3-5-14(16)23-18(26)19(27)24-22-10-12-9-13(20)7-8-15(12)29-11-17(21)25/h3-10H,2,11H2,1H3,(H2,21,25)(H,23,26)(H,24,27)/b22-10-.
What are the key properties of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide has a molecular weight of 418.84 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 8990204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).