N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide

C21H23ClN4O6 — CID 126164747

IUPACN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C21H23ClN4O6/c1-30-9-8-23-20(28)21(29)26-24-12-14-10-16(22)19(17(11-14)31-2)32-13-18(27)25-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyYFVJGXNNZHHDAL-MSXFZWOLSA-N
MW462.89 g/mol
LogP1.58
Rot. Bonds10

About N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide (PubChem CID 126164747) has the molecular formula C21H23ClN4O6 and a molecular weight of 462.89 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
PubChem CID126164747
Molecular FormulaC21H23ClN4O6
Molecular Weight462.89 g/mol
Exact Mass462.13
IUPAC NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C21H23ClN4O6/c1-30-9-8-23-20(28)21(29)26-24-12-14-10-16(22)19(17(11-14)31-2)32-13-18(27)25-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyYFVJGXNNZHHDAL-MSXFZWOLSA-N
XLogP1.58
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170325
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126173094
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126171952
N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126265889
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 126164442
N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126157404
N'-[(Z)-[3-chloro-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164026
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 126261129
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126177478
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262841
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3,5-dichlorophenyl]methylideneamino]benzamide
CID 126266809
N-benzyl-N'-[(Z)-[3-bromo-4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 6024584

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide (CID 126164747) is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)N/N=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The InChIKey is YFVJGXNNZHHDAL-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H23ClN4O6/c1-30-9-8-23-20(28)21(29)26-24-12-14-10-16(22)19(17(11-14)31-2)32-13-18(27)25-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-.
What are the key properties of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide?
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide has a molecular weight of 462.89 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 126164747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).