N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide

C30H27N3O3 — CID 19157782

About N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide

N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide (PubChem CID 19157782) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide
• PubChem CID: 19157782
• Molecular Formula: C30H27N3O3
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.21
• IUPAC Name: N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide
• SMILES: Cc1c(C(=O)N2c3ccccc3CC2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2
• InChI: InChI=1S/C30H27N3O3/c1-18-17-21-10-4-6-15-25(21)33(18)30(35)28-19(2)27-24(14-8-16-26(27)36-28)31-32-29(34)23-13-7-11-20-9-3-5-12-22(20)23/h3-7,9-13,15,18H,8,14,16-17H2,1-2H3,(H,32,34)/b31-24+
• InChIKey: UJLQIDQTYOUJAP-QFMPWRQOSA-N
• XLogP: 5.80
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide?

The IUPAC name of N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide (CID 19157782) is N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide.

What is the SMILES notation for N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide?

The canonical SMILES for N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide is Cc1c(C(=O)N2c3ccccc3CC2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2.

What is the InChIKey of N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide?

The InChIKey is UJLQIDQTYOUJAP-QFMPWRQOSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-18-17-21-10-4-6-15-25(21)33(18)30(35)28-19(2)27-24(14-8-16-26(27)36-28)31-32-29(34)23-13-7-11-20-9-3-5-12-22(20)23/h3-7,9-13,15,18H,8,14,16-17H2,1-2H3,(H,32,34)/b31-24+.

What are the key properties of N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide?

N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]naphthalene-1-carboxamide is sourced from PubChem (CID 19157782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).