N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide

C23H26N4O5 — CID 126279501

IUPACN-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C23H26N4O5/c1-14-8-15(2)10-18(9-14)25-21(28)13-32-19-7-4-16(11-20(19)31-3)12-24-27-23(30)22(29)26-17-5-6-17/h4,7-12,17H,5-6,13H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/b24-12-
InChIKeyXKCWHTJNQCJSFX-MSXFZWOLSA-N
MW438.48 g/mol
LogP2.06
Rot. Bonds8

About N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide (PubChem CID 126279501) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
PubChem CID126279501
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C23H26N4O5/c1-14-8-15(2)10-18(9-14)25-21(28)13-32-19-7-4-16(11-20(19)31-3)12-24-27-23(30)22(29)26-17-5-6-17/h4,7-12,17H,5-6,13H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/b24-12-
InChIKeyXKCWHTJNQCJSFX-MSXFZWOLSA-N
XLogP2.06
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.06
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'}

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Related Compounds

N-cyclopropyl-N'-[(Z)-[4-[2-(4-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126269134
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126176314
N-cyclopropyl-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126268690
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126170578
N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126264726
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257689
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126166310
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664
N-(2,6-dimethylphenyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126277139
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126160449
N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126159591
N'-[(Z)-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126180410

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide (CID 126279501) is N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide is COc1cc(/C=N\NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide?
The InChIKey is XKCWHTJNQCJSFX-MSXFZWOLSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14-8-15(2)10-18(9-14)25-21(28)13-32-19-7-4-16(11-20(19)31-3)12-24-27-23(30)22(29)26-17-5-6-17/h4,7-12,17H,5-6,13H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/b24-12-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide has a molecular weight of 438.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide is sourced from PubChem (CID 126279501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).