(1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate

C₇₆H₈₁N₉O₁₄ — CID 158036518

About (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate

(1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate (PubChem CID 158036518) has the molecular formula C₇₆H₈₁N₉O₁₄ and a molecular weight of 1344.53 g/mol. Its IUPAC name is (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate.

Molecular Properties

• Compound Name: (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
• PubChem CID: 158036518
• Molecular Formula: C₇₆H₈₁N₉O₁₄
• Molecular Weight: 1344.53 g/mol
• Exact Mass: 1343.59
• IUPAC Name: (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
• SMILES: CCC(=O)c1cn(CC)c2cc(OC)ccc12.CCNc1c(C(=O)OC)c2ccc([N+](=O)[O-])cc2n1CC.CCn1c(N)c(C(=O)OC)c2ccc([N+](=O)[O-])cc21.CCn1cc(C(=O)c2ccccc2)c2cc(OC)ccc21.CCn1cc(C(=O)c2ccccc2)c2ccc(OC)cc21
• InChI: InChI=1S/2C18H17NO2.C14H17N3O4.C14H17NO2.C12H13N3O4/c1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-11-14(21-2)9-10-17(15)19;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-10-9-14(21-2)11-17(15)19;1-4-15-13-12(14(18)21-3)10-7-6-9(17(19)20)8-11(10)16(13)5-2;1-4-14(16)12-9-15(5-2)13-8-10(17-3)6-7-11(12)13;1-3-14-9-6-7(15(17)18)4-5-8(9)10(11(14)13)12(16)19-2/h2*4-12H,3H2,1-2H3;6-8,15H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;4-6H,3,13H2,1-2H3
• InChIKey: HTSYHWVCVJBZCP-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 280.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1344.53
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?

The IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate (CID 158036518) is (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate.

What is the SMILES notation for (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?

The canonical SMILES for (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate is CCC(=O)c1cn(CC)c2cc(OC)ccc12.CCNc1c(C(=O)OC)c2ccc([N+](=O)[O-])cc2n1CC.CCn1c(N)c(C(=O)OC)c2ccc([N+](=O)[O-])cc21.CCn1cc(C(=O)c2ccccc2)c2cc(OC)ccc21.CCn1cc(C(=O)c2ccccc2)c2ccc(OC)cc21.

What is the InChIKey of (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?

The InChIKey is HTSYHWVCVJBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17NO2.C14H17N3O4.C14H17NO2.C12H13N3O4/c1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-11-14(21-2)9-10-17(15)19;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-10-9-14(21-2)11-17(15)19;1-4-15-13-12(14(18)21-3)10-7-6-9(17(19)20)8-11(10)16(13)5-2;1-4-14(16)12-9-15(5-2)13-8-10(17-3)6-7-11(12)13;1-3-14-9-6-7(15(17)18)4-5-8(9)10(11(14)13)12(16)19-2/h2*4-12H,3H2,1-2H3;6-8,15H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;4-6H,3,13H2,1-2H3.

What are the key properties of (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?

(1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate has a molecular weight of 1344.53 g/mol, XLogP of 15.79, 20 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate is sourced from PubChem (CID 158036518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158036518 — identifiers, structure, computed properties (public domain)

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