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

C22H24N4O4 — CID 126278983

IUPACN-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C22H24N4O4/c1-14-4-3-5-19(15(14)2)25-20(27)13-30-18-10-6-16(7-11-18)12-23-26-22(29)21(28)24-17-8-9-17/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/b23-12-
InChIKeySPXZIGQQIJWGKS-FMCGGJTJSA-N
MW408.46 g/mol
LogP2.05
Rot. Bonds7

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

N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126278983) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126278983
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C22H24N4O4/c1-14-4-3-5-19(15(14)2)25-20(27)13-30-18-10-6-16(7-11-18)12-23-26-22(29)21(28)24-17-8-9-17/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/b23-12-
InChIKeySPXZIGQQIJWGKS-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'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126167618
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268895
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126272488
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126271690
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908
N-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126278983) is N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)NC3CC3)cc2)c1C.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is SPXZIGQQIJWGKS-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-4-3-5-19(15(14)2)25-20(27)13-30-18-10-6-16(7-11-18)12-23-26-22(29)21(28)24-17-8-9-17/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/b23-12-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-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)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126278983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).