N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide

C26H25ClN4O4 — CID 126163043

IUPACN'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C26H25ClN4O4/c1-18-7-10-21(11-8-18)30-24(32)17-35-23-12-9-20(15-22(23)27)16-29-31-26(34)25(33)28-14-13-19-5-3-2-4-6-19/h2-12,15-16H,13-14,17H2,1H3,(H,28,33)(H,30,32)(H,31,34)/b29-16-
InChIKeyUJUSEJCGJWWULV-MWLSYYOVSA-N
MW492.96 g/mol
LogP3.47
Rot. Bonds9

About N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide

N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 126163043) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID126163043
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC NameN'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C26H25ClN4O4/c1-18-7-10-21(11-8-18)30-24(32)17-35-23-12-9-20(15-22(23)27)16-29-31-26(34)25(33)28-14-13-19-5-3-2-4-6-19/h2-12,15-16H,13-14,17H2,1H3,(H,28,33)(H,30,32)(H,31,34)/b29-16-
InChIKeyUJUSEJCGJWWULV-MWLSYYOVSA-N
XLogP3.47
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 53.47
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-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)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)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126157153
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161438
N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170389
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126276295
2-[2-chloro-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4045866
N-benzyl-N'-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160542
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126172454
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126266312
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126177103
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126274693
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide (CID 126163043) is N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide is Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)cc2Cl)cc1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is UJUSEJCGJWWULV-MWLSYYOVSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-18-7-10-21(11-8-18)30-24(32)17-35-23-12-9-20(15-22(23)27)16-29-31-26(34)25(33)28-14-13-19-5-3-2-4-6-19/h2-12,15-16H,13-14,17H2,1H3,(H,28,33)(H,30,32)(H,31,34)/b29-16-.
What are the key properties of N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 492.96 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 126163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).