methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

C25H34N4O5 — CID 45161323

IUPACmethyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
SMILESCOCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C(C)CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C25H34N4O5/c1-18(8-9-19-16-26-21-7-5-4-6-20(19)21)27-12-10-25(11-13-27)23(31)28(17-22(30)34-3)24(32)29(25)14-15-33-2/h4-7,16,18,26H,8-15,17H2,1-3H3
InChIKeyDQBORDZVTWYQFA-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.41
Rot. Bonds9

About methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (PubChem CID 45161323) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
PubChem CID45161323
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Namemethyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
SMILESCOCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C(C)CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C25H34N4O5/c1-18(8-9-19-16-26-21-7-5-4-6-20(19)21)27-12-10-25(11-13-27)23(31)28(17-22(30)34-3)24(32)29(25)14-15-33-2/h4-7,16,18,26H,8-15,17H2,1-3H3
InChIKeyDQBORDZVTWYQFA-UHFFFAOYSA-N
XLogP2.41
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate with MolForge

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Related Compounds

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CID 26233132
1-ethyl-8-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227519
methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate
CID 46483614
(4R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
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methyl 2-[8-[[5-(methoxymethyl)furan-2-yl]methyl]-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 26225627
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CID 26220241
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CID 146068869
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3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
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CID 26229646
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (CID 45161323) is methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C(C)CCc1c[nH]c3ccccc13)CC2.
What is the InChIKey of methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is DQBORDZVTWYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-18(8-9-19-16-26-21-7-5-4-6-20(19)21)27-12-10-25(11-13-27)23(31)28(17-22(30)34-3)24(32)29(25)14-15-33-2/h4-7,16,18,26H,8-15,17H2,1-3H3.
What are the key properties of methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?
methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 470.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 45161323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).