2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide

C28H38N4O5 — CID 167229915

About 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide

2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 167229915) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide
• PubChem CID: 167229915
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)C)cc12
• InChI: InChI=1S/C28H38N4O5/c1-17(2)21(13-18-7-10-29-25(18)33)31-26(34)23-15-28(8-11-37-12-9-28)16-32(23)27(35)22-14-19-20(30-22)5-4-6-24(19)36-3/h4-6,14,17-18,21,23,30H,7-13,15-16H2,1-3H3,(H,29,33)(H,31,34)/t18-,21-,23?/m0/s1
• InChIKey: YXRKHZQMGJRVTR-FJOSRBEHSA-N
• XLogP: 2.85
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide?

The IUPAC name of 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide (CID 167229915) is 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide is COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)C)cc12.

What is the InChIKey of 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide?

The InChIKey is YXRKHZQMGJRVTR-FJOSRBEHSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-17(2)21(13-18-7-10-29-25(18)33)31-26(34)23-15-28(8-11-37-12-9-28)16-32(23)27(35)22-14-19-20(30-22)5-4-6-24(19)36-3/h4-6,14,17-18,21,23,30H,7-13,15-16H2,1-3H3,(H,29,33)(H,31,34)/t18-,21-,23?/m0/s1.

What are the key properties of 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide?

2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 167229915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).