2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C26H29N5O3 — CID 26221283

About 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 26221283) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 26221283
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O
• InChI: InChI=1S/C26H29N5O3/c27-23(32)18-30-24(33)26(31(25(30)34)13-10-19-6-2-1-3-7-19)11-14-29(15-12-26)17-21-16-20-8-4-5-9-22(20)28-21/h1-9,16,28H,10-15,17-18H2,(H2,27,32)
• InChIKey: IXEQJWMDRZGMSI-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 102.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 26221283) is 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O.

What is the InChIKey of 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is IXEQJWMDRZGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c27-23(32)18-30-24(33)26(31(25(30)34)13-10-19-6-2-1-3-7-19)11-14-29(15-12-26)17-21-16-20-8-4-5-9-22(20)28-21/h1-9,16,28H,10-15,17-18H2,(H2,27,32).

What are the key properties of 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 26221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).