N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide

C24H20N2O4 — CID 135633703

IUPACN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O
InChIInChI=1S/C24H20N2O4/c1-2-29-21-9-5-7-17(23(21)27)15-25-18-10-12-19(13-11-18)26-24(28)22-14-16-6-3-4-8-20(16)30-22/h3-15,27H,2H2,1H3,(H,26,28)/b25-15+
InChIKeyXTWSHZUVUYSOQZ-MFKUBSTISA-N
MW400.43 g/mol
LogP5.54
Rot. Bonds6

About N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 135633703) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID135633703
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O
InChIInChI=1S/C24H20N2O4/c1-2-29-21-9-5-7-17(23(21)27)15-25-18-10-12-19(13-11-18)26-24(28)22-14-16-6-3-4-8-20(16)30-22/h3-15,27H,2H2,1H3,(H,26,28)/b25-15+
InChIKeyXTWSHZUVUYSOQZ-MFKUBSTISA-N
XLogP5.54
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.54
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

2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 66557630
N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162400
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137138898
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
CID 135633736
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide (CID 135633703) is N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide is CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O.
What is the InChIKey of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XTWSHZUVUYSOQZ-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-29-21-9-5-7-17(23(21)27)15-25-18-10-12-19(13-11-18)26-24(28)22-14-16-6-3-4-8-20(16)30-22/h3-15,27H,2H2,1H3,(H,26,28)/b25-15+.
What are the key properties of N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 5.54, 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]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135633703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).