N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide

C17H17N3O4 — CID 27686217

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O4/c1-23-15-9-3-2-6-13(15)7-4-10-19-20-17(22)16(21)18-12-14-8-5-11-24-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b7-4+,19-10-
InChIKeyCPPOLBIYHGAITP-MQEXGXKKSA-N
MW327.34 g/mol
LogP1.72
Rot. Bonds6

About N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide (PubChem CID 27686217) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide
PubChem CID27686217
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O4/c1-23-15-9-3-2-6-13(15)7-4-10-19-20-17(22)16(21)18-12-14-8-5-11-24-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b7-4+,19-10-
InChIKeyCPPOLBIYHGAITP-MQEXGXKKSA-N
XLogP1.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3439565
N'-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8900540
N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 136808325
[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2098090
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126256565
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 9352883
N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840005
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968
N'-[(Z)-[2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126275102
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8903027
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 3639145

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide (CID 27686217) is N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide is COc1ccccc1/C=C/C=N\NC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide?
The InChIKey is CPPOLBIYHGAITP-MQEXGXKKSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-15-9-3-2-6-13(15)7-4-10-19-20-17(22)16(21)18-12-14-8-5-11-24-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b7-4+,19-10-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide is sourced from PubChem (CID 27686217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).