N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C22H26N4O5 — CID 94832293

IUPACN-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O5/c1-22(2,3)25-20(28)21(29)26-23-13-15-9-11-16(12-10-15)31-14-19(27)24-17-7-5-6-8-18(17)30-4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/b23-13-
InChIKeyKADLUZVXLZXSOG-QRVIBDJDSA-N
MW426.47 g/mol
LogP2.08
Rot. Bonds7

About N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832293) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID94832293
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O5/c1-22(2,3)25-20(28)21(29)26-23-13-15-9-11-16(12-10-15)31-14-19(27)24-17-7-5-6-8-18(17)30-4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/b23-13-
InChIKeyKADLUZVXLZXSOG-QRVIBDJDSA-N
XLogP2.08
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.08
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-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
N-tert-butyl-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832282
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126023867
N-benzyl-N'-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832239
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
2,4-dichloro-N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 94833155
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 94832293) is N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is KADLUZVXLZXSOG-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-22(2,3)25-20(28)21(29)26-23-13-15-9-11-16(12-10-15)31-14-19(27)24-17-7-5-6-8-18(17)30-4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/b23-13-.
What are the key properties of N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 426.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).