N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C25H20N2O4 — CID 6087182

IUPACN-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C25H20N2O4/c1-16(28)17-7-9-18(10-8-17)23-12-11-21(31-23)15-26-27-25(29)22-13-19-5-3-4-6-20(19)14-24(22)30-2/h3-15H,1-2H3,(H,27,29)/b26-15-
InChIKeyFEAUIOPHEARLRY-YSMPRRRNSA-N
MW412.45 g/mol
LogP5.07
Rot. Bonds6

About N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 6087182) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID6087182
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C25H20N2O4/c1-16(28)17-7-9-18(10-8-17)23-12-11-21(31-23)15-26-27-25(29)22-13-19-5-3-4-6-20(19)14-24(22)30-2/h3-15H,1-2H3,(H,27,29)/b26-15-
InChIKeyFEAUIOPHEARLRY-YSMPRRRNSA-N
XLogP5.07
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.07
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

N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3645781
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6109398
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
ethyl 4-[5-[[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 4554513
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
3-[5-[[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3385327
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 6087182) is N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(C(C)=O)cc2)o1.
What is the InChIKey of N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is FEAUIOPHEARLRY-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-16(28)17-7-9-18(10-8-17)23-12-11-21(31-23)15-26-27-25(29)22-13-19-5-3-4-6-20(19)14-24(22)30-2/h3-15H,1-2H3,(H,27,29)/b26-15-.
What are the key properties of N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 6087182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).