N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide

C30H38N4O4 — CID 163426210

About N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide

N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 163426210) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
• PubChem CID: 163426210
• Molecular Formula: C30H38N4O4
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.29
• IUPAC Name: N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3CC4(CCCCC4)CC3C(=O)NC(C#N)CC3CC(C)(C)CC3=O)cc12
• InChI: InChI=1S/C30H38N4O4/c1-29(2)14-19(25(35)16-29)12-20(17-31)32-27(36)24-15-30(10-5-4-6-11-30)18-34(24)28(37)23-13-21-22(33-23)8-7-9-26(21)38-3/h7-9,13,19-20,24,33H,4-6,10-12,14-16,18H2,1-3H3,(H,32,36)
• InChIKey: AMSYWRPGWSLGCA-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 115.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide?

The IUPAC name of N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide (CID 163426210) is N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide is COc1cccc2[nH]c(C(=O)N3CC4(CCCCC4)CC3C(=O)NC(C#N)CC3CC(C)(C)CC3=O)cc12.

What is the InChIKey of N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide?

The InChIKey is AMSYWRPGWSLGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-29(2)14-19(25(35)16-29)12-20(17-31)32-27(36)24-15-30(10-5-4-6-11-30)18-34(24)28(37)23-13-21-22(33-23)8-7-9-26(21)38-3/h7-9,13,19-20,24,33H,4-6,10-12,14-16,18H2,1-3H3,(H,32,36).

What are the key properties of N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide?

N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 163426210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).