5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide

C22H22N2O4 — CID 5430522

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1
InChIInChI=1S/C22H22N2O4/c1-15-8-9-18(12-16(15)2)27-14-19-10-11-21(28-19)22(25)24-23-13-17-6-4-5-7-20(17)26-3/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-
InChIKeyTXOQTBUUMSBYSJ-QRVIBDJDSA-N
MW378.43 g/mol
LogP4.25
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 5430522) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID5430522
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1
InChIInChI=1S/C22H22N2O4/c1-15-8-9-18(12-16(15)2)27-14-19-10-11-21(28-19)22(25)24-23-13-17-6-4-5-7-20(17)26-3/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-
InChIKeyTXOQTBUUMSBYSJ-QRVIBDJDSA-N
XLogP4.25
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-Naphthyloxy)methyl]-2-furohydrazide
CID 726927
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N'-[(1E)-6-methoxy-3-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]-2-furohydrazide
CID 9599633
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
CID 717040
5-(Naphthalen-1-yloxymethyl)furan-2-carbohydrazide
CID 3791373
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
(E)-N'-(4-(benzyloxy)benzylidene)furan-2-carbohydrazide
CID 6880344
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6886843
N'-{(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}furan-2-carbohydrazide
CID 9559755
5-[(2,4-dichlorophenoxy)methyl]-N'-(3-methoxybenzylidene)-2-furohydrazide
CID 6873592
5-[(2-chlorophenoxy)methyl]-N'-(4-methoxybenzylidene)-2-furohydrazide
CID 6874296
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide (CID 5430522) is 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide is COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is TXOQTBUUMSBYSJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-8-9-18(12-16(15)2)27-14-19-10-11-21(28-19)22(25)24-23-13-17-6-4-5-7-20(17)26-3/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-.
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5430522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).