N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide

C22H26N4O5 — CID 94832328

IUPACN-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCOCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H26N4O5/c1-30-14-13-24-21(28)22(29)26-25-15-18-7-9-19(10-8-18)31-16-20(27)23-12-11-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,27)(H,24,28)(H,26,29)/b25-15-
InChIKeyKTOSXEXEQNZYJS-MYYYXRDXSA-N
MW426.47 g/mol
LogP0.64
Rot. Bonds11

About N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide

N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832328) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
PubChem CID94832328
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCOCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H26N4O5/c1-30-14-13-24-21(28)22(29)26-25-15-18-7-9-19(10-8-18)31-16-20(27)23-12-11-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,27)(H,24,28)(H,26,29)/b25-15-
InChIKeyKTOSXEXEQNZYJS-MYYYXRDXSA-N
XLogP0.64
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126158955
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718
N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 3131651
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 6368334
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650
N'-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94832214
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide (CID 94832328) is N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide is COCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is KTOSXEXEQNZYJS-MYYYXRDXSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-30-14-13-24-21(28)22(29)26-25-15-18-7-9-19(10-8-18)31-16-20(27)23-12-11-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,27)(H,24,28)(H,26,29)/b25-15-.
What are the key properties of N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide?
N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 426.47 g/mol, XLogP of 0.64, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).