N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide

C22H21N3O5 — CID 9352883

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1OCc1ccccc1
InChIInChI=1S/C22H21N3O5/c1-28-19-10-9-17(12-20(19)30-15-16-6-3-2-4-7-16)13-24-25-22(27)21(26)23-14-18-8-5-11-29-18/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27)/b24-13-
InChIKeyLRLCUIFBHTZVET-CFRMEGHHSA-N
MW407.43 g/mol
LogP2.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 9352883) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID9352883
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1OCc1ccccc1
InChIInChI=1S/C22H21N3O5/c1-28-19-10-9-17(12-20(19)30-15-16-6-3-2-4-7-16)13-24-25-22(27)21(26)23-14-18-8-5-11-29-18/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27)/b24-13-
InChIKeyLRLCUIFBHTZVET-CFRMEGHHSA-N
XLogP2.63
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
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-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
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-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8903027
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126254438
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide (CID 9352883) is N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1OCc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is LRLCUIFBHTZVET-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-28-19-10-9-17(12-20(19)30-15-16-6-3-2-4-7-16)13-24-25-22(27)21(26)23-14-18-8-5-11-29-18/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27)/b24-13-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 407.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 9352883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).