N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide

C19H19ClN4O4 — CID 8990189

IUPACN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H19ClN4O4/c1-11-4-3-5-12(2)17(11)23-18(26)19(27)24-22-9-13-8-14(20)6-7-15(13)28-10-16(21)25/h3-9H,10H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)/b22-9-
InChIKeyCXFDOOWCTOLQHL-AFPJDJCSSA-N
MW402.84 g/mol
LogP1.91
Rot. Bonds6

About N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide

N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide (PubChem CID 8990189) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
PubChem CID8990189
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C19H19ClN4O4/c1-11-4-3-5-12(2)17(11)23-18(26)19(27)24-22-9-13-8-14(20)6-7-15(13)28-10-16(21)25/h3-9H,10H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)/b22-9-
InChIKeyCXFDOOWCTOLQHL-AFPJDJCSSA-N
XLogP1.91
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 51.91
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)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide 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

2-[4-chloro-2-[(Z)-[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989656
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 8990173
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
2-[4-chloro-2-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989649
N'-[(Z)-[5-bromo-2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126182068
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126176101
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126271021
N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126260676
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126256117
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N'-[(Z)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126170704
N-(2,6-dimethylphenyl)-N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275106

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide (CID 8990189) is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide is Cc1cccc(C)c1NC(=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-(2,6-dimethylphenyl)oxamide?
The InChIKey is CXFDOOWCTOLQHL-AFPJDJCSSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-11-4-3-5-12(2)17(11)23-18(26)19(27)24-22-9-13-8-14(20)6-7-15(13)28-10-16(21)25/h3-9H,10H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)/b22-9-.
What are the key properties of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide has a molecular weight of 402.84 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 8990189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).