N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide

C21H23ClN4O4 — CID 126157880

IUPACN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C21H23ClN4O4/c1-3-10-23-20(28)21(29)26-24-12-15-5-8-17(9-6-15)30-13-19(27)25-18-11-16(22)7-4-14(18)2/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyHJLWSGDCDVNMOO-MSXFZWOLSA-N
MW430.89 g/mol
LogP2.64
Rot. Bonds8

About N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide

N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide (PubChem CID 126157880) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
PubChem CID126157880
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC NameN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C21H23ClN4O4/c1-3-10-23-20(28)21(29)26-24-12-15-5-8-17(9-6-15)30-13-19(27)25-18-11-16(22)7-4-14(18)2/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyHJLWSGDCDVNMOO-MSXFZWOLSA-N
XLogP2.64
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.64
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)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide 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-butyl-N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126159531
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126264692
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126157140
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 126164442
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126175981
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126172433
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126258632
N'-[[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3464017
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126158955
N-(4-chloro-2-methylphenyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832768

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide (CID 126157880) is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide?
The InChIKey is HJLWSGDCDVNMOO-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-3-10-23-20(28)21(29)26-24-12-15-5-8-17(9-6-15)30-13-19(27)25-18-11-16(22)7-4-14(18)2/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-.
What are the key properties of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide?
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide has a molecular weight of 430.89 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide is sourced from PubChem (CID 126157880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).