N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide

C24H22N4O5 — CID 126265492

IUPACN'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N4O5/c1-32-20-13-11-19(12-14-20)27-23(30)24(31)28-25-15-17-7-5-6-10-21(17)33-16-22(29)26-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/b25-15-
InChIKeyYTHRPAWNRKDPAV-MYYYXRDXSA-N
MW446.46 g/mol
LogP2.80
Rot. Bonds8

About N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 126265492) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID126265492
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N4O5/c1-32-20-13-11-19(12-14-20)27-23(30)24(31)28-25-15-17-7-5-6-10-21(17)33-16-22(29)26-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/b25-15-
InChIKeyYTHRPAWNRKDPAV-MYYYXRDXSA-N
XLogP2.80
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.80
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'}

Analyze N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)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

N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N-(4-methoxyphenyl)-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126278520
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126175158
N-(2,6-dimethylphenyl)-N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275106
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126175339
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126157864
2-cyano-3-[2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-N-phenylprop-2-enamide
CID 3402415
(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 126053567
N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3999806

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 126265492) is N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is YTHRPAWNRKDPAV-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-32-20-13-11-19(12-14-20)27-23(30)24(31)28-25-15-17-7-5-6-10-21(17)33-16-22(29)26-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/b25-15-.
What are the key properties of N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 446.46 g/mol, XLogP of 2.80, 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-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 126265492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).