N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide

C19H22N4O5 — CID 94832433

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCC(C)NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N4O5/c1-13(2)22-17(24)12-28-15-7-5-14(6-8-15)10-21-23-19(26)18(25)20-11-16-4-3-9-27-16/h3-10,13H,11-12H2,1-2H3,(H,20,25)(H,22,24)(H,23,26)/b21-10-
InChIKeyQUKMDNGZFVBTDA-FBHDLOMBSA-N
MW386.41 g/mol
LogP0.95
Rot. Bonds8

About N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832433) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
PubChem CID94832433
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCC(C)NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N4O5/c1-13(2)22-17(24)12-28-15-7-5-14(6-8-15)10-21-23-19(26)18(25)20-11-16-4-3-9-27-16/h3-10,13H,11-12H2,1-2H3,(H,20,25)(H,22,24)(H,23,26)/b21-10-
InChIKeyQUKMDNGZFVBTDA-FBHDLOMBSA-N
XLogP0.95
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.95
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-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832643
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8930611
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5440236
2-benzylsulfanyl-N-[[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]propanamide
CID 3138976
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126254438
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]oxamide
CID 94863538

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide (CID 94832433) is N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide is CC(C)NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is QUKMDNGZFVBTDA-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13(2)22-17(24)12-28-15-7-5-14(6-8-15)10-21-23-19(26)18(25)20-11-16-4-3-9-27-16/h3-10,13H,11-12H2,1-2H3,(H,20,25)(H,22,24)(H,23,26)/b21-10-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 386.41 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).