(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C24H25N3O4 — CID 19157743

IUPAC(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2
InChIInChI=1S/C24H25N3O4/c1-15-21-19(11-6-12-20(21)31-22(15)24(29)25-13-14-30-2)26-27-23(28)18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+
InChIKeyLSJKJAKXLUCQTE-LGUFXXKBSA-N
MW419.48 g/mol
LogP3.59
Rot. Bonds6

About (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19157743) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19157743
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2
InChIInChI=1S/C24H25N3O4/c1-15-21-19(11-6-12-20(21)31-22(15)24(29)25-13-14-30-2)26-27-23(28)18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+
InChIKeyLSJKJAKXLUCQTE-LGUFXXKBSA-N
XLogP3.59
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19157743) is (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2.
What is the InChIKey of (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is LSJKJAKXLUCQTE-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-21-19(11-6-12-20(21)31-22(15)24(29)25-13-14-30-2)26-27-23(28)18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+.
What are the key properties of (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(2-methoxyethyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19157743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).