N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C23H22N4O5 — CID 126254438

IUPACN'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)NCc1ccccc1
InChIInChI=1S/C23H22N4O5/c28-21(24-13-17-6-2-1-3-7-17)16-32-19-9-4-8-18(12-19)14-26-27-23(30)22(29)25-15-20-10-5-11-31-20/h1-12,14H,13,15-16H2,(H,24,28)(H,25,29)(H,27,30)/b26-14-
InChIKeyDDDKZROUNJNWHA-WGARJPEWSA-N
MW434.45 g/mol
LogP1.74
Rot. Bonds9

About N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126254438) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID126254438
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)NCc1ccccc1
InChIInChI=1S/C23H22N4O5/c28-21(24-13-17-6-2-1-3-7-17)16-32-19-9-4-8-18(12-19)14-26-27-23(30)22(29)25-15-20-10-5-11-31-20/h1-12,14H,13,15-16H2,(H,24,28)(H,25,29)(H,27,30)/b26-14-
InChIKeyDDDKZROUNJNWHA-WGARJPEWSA-N
XLogP1.74
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.74
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'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
CID 8990324
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126262008
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260731
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 9352883
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126172454
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832643

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 126254438) is N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is O=C(COc1cccc(/C=N\NC(=O)C(=O)NCc2ccco2)c1)NCc1ccccc1.
What is the InChIKey of N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is DDDKZROUNJNWHA-WGARJPEWSA-N. The full InChI is InChI=1S/C23H22N4O5/c28-21(24-13-17-6-2-1-3-7-17)16-32-19-9-4-8-18(12-19)14-26-27-23(30)22(29)25-15-20-10-5-11-31-20/h1-12,14H,13,15-16H2,(H,24,28)(H,25,29)(H,27,30)/b26-14-.
What are the key properties of N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 434.45 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126254438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).