N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide

C21H20N2O4 — CID 135633736

IUPACN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
SMILESCCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O
InChIInChI=1S/C21H20N2O4/c1-3-26-18-7-4-6-15(20(18)24)13-22-16-9-10-17(14(2)12-16)23-21(25)19-8-5-11-27-19/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyIALFPGRXVWOKOV-LPYMAVHISA-N
MW364.40 g/mol
LogP4.70
Rot. Bonds6

About N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide

N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide (PubChem CID 135633736) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
PubChem CID135633736
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
SMILESCCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O
InChIInChI=1S/C21H20N2O4/c1-3-26-18-7-4-6-15(20(18)24)13-22-16-9-10-17(14(2)12-16)23-21(25)19-8-5-11-27-19/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyIALFPGRXVWOKOV-LPYMAVHISA-N
XLogP4.70
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135855210
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
1-(2,4-dimethylphenyl)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 135715701
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
CID 135595869
N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
CID 136739218
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide (CID 135633736) is N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide is CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O.
What is the InChIKey of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is IALFPGRXVWOKOV-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-26-18-7-4-6-15(20(18)24)13-22-16-9-10-17(14(2)12-16)23-21(25)19-8-5-11-27-19/h4-13,24H,3H2,1-2H3,(H,23,25)/b22-13+.
What are the key properties of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide?
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 135633736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).