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

C22H24N4O4 — CID 126264726

IUPACN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C22H24N4O4/c1-14-9-15(2)11-18(10-14)24-20(27)13-30-19-6-4-3-5-16(19)12-23-26-22(29)21(28)25-17-7-8-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b23-12-
InChIKeyVKAMYCHPBYSBMA-FMCGGJTJSA-N
MW408.46 g/mol
LogP2.05
Rot. Bonds7

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

N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126264726) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126264726
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C22H24N4O4/c1-14-9-15(2)11-18(10-14)24-20(27)13-30-19-6-4-3-5-16(19)12-23-26-22(29)21(28)25-17-7-8-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b23-12-
InChIKeyVKAMYCHPBYSBMA-FMCGGJTJSA-N
XLogP2.05
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.05
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'}

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Related Compounds

N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126267749
N-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
N-cyclopropyl-N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269745
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126268243
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126161723
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126271021
N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126279501
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126160931
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126166033
N'-[(Z)-[5-bromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126274039
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126264726) is N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is VKAMYCHPBYSBMA-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-9-15(2)11-18(10-14)24-20(27)13-30-19-6-4-3-5-16(19)12-23-26-22(29)21(28)25-17-7-8-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b23-12-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 408.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126264726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).