N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide

C86H116N12O4 — CID 158334246

About N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide

N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide (PubChem CID 158334246) has the molecular formula C86H116N12O4 and a molecular weight of 1381.95 g/mol. Its IUPAC name is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide
• PubChem CID: 158334246
• Molecular Formula: C86H116N12O4
• Molecular Weight: 1381.95 g/mol
• Exact Mass: 1380.92
• IUPAC Name: N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide
• SMILES: Cc1ccc2c(c1)c1c(n2CCC(=O)NC(C)(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NCC2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccccc2)CCN(C)C1
• InChI: InChI=1S/C23H33N3O.C22H25N3O.C21H29N3O.C20H29N3O/c1-17-8-9-21-19(14-17)20-16-25(2)12-10-22(20)26(21)13-11-23(27)24-15-18-6-4-3-5-7-18;1-16-8-9-20-18(14-16)19-15-24(2)12-10-21(19)25(20)13-11-22(26)23-17-6-4-3-5-7-17;1-15-7-8-19-17(13-15)18-14-23(2)11-9-20(18)24(19)12-10-21(25)22-16-5-3-4-6-16;1-14-6-7-17-15(12-14)16-13-22(5)10-8-18(16)23(17)11-9-19(24)21-20(2,3)4/h8-9,14,18H,3-7,10-13,15-16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,23,26);7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,22,25);6-7,12H,8-11,13H2,1-5H3,(H,21,24)
• InChIKey: GQJPYGRPNKNKIW-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 149.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.95
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide?

The IUPAC name of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide (CID 158334246) is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide.

What is the SMILES notation for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide?

The canonical SMILES for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide is Cc1ccc2c(c1)c1c(n2CCC(=O)NC(C)(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NCC2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccccc2)CCN(C)C1.

What is the InChIKey of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide?

The InChIKey is GQJPYGRPNKNKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O.C22H25N3O.C21H29N3O.C20H29N3O/c1-17-8-9-21-19(14-17)20-16-25(2)12-10-22(20)26(21)13-11-23(27)24-15-18-6-4-3-5-7-18;1-16-8-9-20-18(14-16)19-15-24(2)12-10-21(19)25(20)13-11-22(26)23-17-6-4-3-5-7-17;1-15-7-8-19-17(13-15)18-14-23(2)11-9-20(18)24(19)12-10-21(25)22-16-5-3-4-6-16;1-14-6-7-17-15(12-14)16-13-22(5)10-8-18(16)23(17)11-9-19(24)21-20(2,3)4/h8-9,14,18H,3-7,10-13,15-16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,23,26);7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,22,25);6-7,12H,8-11,13H2,1-5H3,(H,21,24).

What are the key properties of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide?

N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide has a molecular weight of 1381.95 g/mol, XLogP of 14.62, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-(cyclohexylmethyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;N-cyclopentyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-phenylpropanamide is sourced from PubChem (CID 158334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).