3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H37N5O2 — CID 26215296

IUPAC3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C25H37N5O2/c1-19(2)9-12-30-24(32)29(16-15-27(3)4)23(31)25(30)10-13-28(14-11-25)18-21-17-20-7-5-6-8-22(20)26-21/h5-8,17,19,26H,9-16,18H2,1-4H3
InChIKeyIVFLYRGNVZVXCA-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.37
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26215296) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26215296
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C25H37N5O2/c1-19(2)9-12-30-24(32)29(16-15-27(3)4)23(31)25(30)10-13-28(14-11-25)18-21-17-20-7-5-6-8-22(20)26-21/h5-8,17,19,26H,9-16,18H2,1-4H3
InChIKeyIVFLYRGNVZVXCA-UHFFFAOYSA-N
XLogP3.37
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26213593
8-(1H-indol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136539
8-(1H-indol-2-ylmethyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228797
3-[2-(dimethylamino)ethyl]-8-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224173
3-[2-(dimethylamino)ethyl]-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26144350
2-[8-(1H-indol-2-ylmethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26221283
8-[(3-hydroxyphenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225968
8-(1H-indol-2-ylmethyl)-1-methyl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146175
3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233119
8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134386
8-[(2,6-difluorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229585
8-[(3-chlorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225090

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26215296) is 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IVFLYRGNVZVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-19(2)9-12-30-24(32)29(16-15-27(3)4)23(31)25(30)10-13-28(14-11-25)18-21-17-20-7-5-6-8-22(20)26-21/h5-8,17,19,26H,9-16,18H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 439.60 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26215296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).