[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

C26H22N2O5 — CID 6159384

IUPAC[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)c2ccoc2C)ccc1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O5/c1-3-31-24-15-18(16-27-28-25(29)20-13-14-32-17(20)2)11-12-23(24)33-26(30)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,28,29)/b27-16-
InChIKeyATPBZWDRVKXKBD-YUMHPJSZSA-N
MW442.47 g/mol
LogP5.12
Rot. Bonds7

About [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (PubChem CID 6159384) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
PubChem CID6159384
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)c2ccoc2C)ccc1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O5/c1-3-31-24-15-18(16-27-28-25(29)20-13-14-32-17(20)2)11-12-23(24)33-26(30)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,28,29)/b27-16-
InChIKeyATPBZWDRVKXKBD-YUMHPJSZSA-N
XLogP5.12
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 5170309
[2-ethoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 3513303
[4-[(Z)-[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 41145133
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
[2-ethoxy-4-[[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4651543
N-[(Z)-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359495
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097
N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 126023935
[2-methoxy-4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6872498
[2-ethoxy-4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984343
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
[4-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4120449

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (CID 6159384) is [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is CCOc1cc(/C=N\NC(=O)c2ccoc2C)ccc1OC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is ATPBZWDRVKXKBD-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-3-31-24-15-18(16-27-28-25(29)20-13-14-32-17(20)2)11-12-23(24)33-26(30)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,28,29)/b27-16-.
What are the key properties of [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
[2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 442.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 6159384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).