N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C22H18N2O4 — CID 135494675

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O
InChIInChI=1S/C22H18N2O4/c1-2-27-20-11-14(7-9-18(20)25)13-23-24-22(26)21-12-17-16-6-4-3-5-15(16)8-10-19(17)28-21/h3-13,25H,2H2,1H3,(H,24,26)/b23-13+
InChIKeyOTWDAIRFMHKAMF-YDZHTSKRSA-N
MW374.40 g/mol
LogP4.45
Rot. Bonds5

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

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 135494675) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID135494675
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O
InChIInChI=1S/C22H18N2O4/c1-2-27-20-11-14(7-9-18(20)25)13-23-24-22(26)21-12-17-16-6-4-3-5-15(16)8-10-19(17)28-21/h3-13,25H,2H2,1H3,(H,24,26)/b23-13+
InChIKeyOTWDAIRFMHKAMF-YDZHTSKRSA-N
XLogP4.45
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N'-(3-bromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494677
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6886843
2-{2-Methoxy-4-[2-(1-naphthoyl)carbohydrazonoyl]phenoxy}acetamide
CID 9563859
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-(2-naphthylmethylene)-2-furohydrazide
CID 6874804
N'-(3,5-dibromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135648080
4-Hydroxy-3-methoxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135470389

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 135494675) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is OTWDAIRFMHKAMF-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-27-20-11-14(7-9-18(20)25)13-23-24-22(26)21-12-17-16-6-4-3-5-15(16)8-10-19(17)28-21/h3-13,25H,2H2,1H3,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 135494675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).