N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide

C18H19N3O5 — CID 135840005

IUPACN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
SMILESC=CCc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(OC)c1O
InChIInChI=1S/C18H19N3O5/c1-3-5-13-8-12(9-15(25-2)16(13)22)10-20-21-18(24)17(23)19-11-14-6-4-7-26-14/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,23)(H,21,24)/b20-10+
InChIKeyUDXNMRVOLBRFIT-KEBDBYFISA-N
MW357.37 g/mol
LogP1.49
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide (PubChem CID 135840005) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
PubChem CID135840005
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
SMILESC=CCc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(OC)c1O
InChIInChI=1S/C18H19N3O5/c1-3-5-13-8-12(9-15(25-2)16(13)22)10-20-21-18(24)17(23)19-11-14-6-4-7-26-14/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,23)(H,21,24)/b20-10+
InChIKeyUDXNMRVOLBRFIT-KEBDBYFISA-N
XLogP1.49
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 136808325
N'-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8900540
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 9352883
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 135840021
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684476
N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
CID 135840022
3-bromo-N-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 137149844
N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126265889
4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
CID 136704588
N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide
CID 27686217

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide (CID 135840005) is N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide is C=CCc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(OC)c1O.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide?
The InChIKey is UDXNMRVOLBRFIT-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-5-13-8-12(9-15(25-2)16(13)22)10-20-21-18(24)17(23)19-11-14-6-4-7-26-14/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,23)(H,21,24)/b20-10+.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide has a molecular weight of 357.37 g/mol, XLogP of 1.49, 7 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'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135840005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).