1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H32N4O3 — CID 26230042

IUPAC1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C27H32N4O3/c1-4-31-26(33)30(17-20-8-7-9-22(16-20)34-3)25(32)27(31)12-14-29(15-13-27)19-21-18-28(2)24-11-6-5-10-23(21)24/h5-11,16,18H,4,12-15,17,19H2,1-3H3
InChIKeyCLQUYJATBQCJJA-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.01
Rot. Bonds6

About 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26230042) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26230042
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C27H32N4O3/c1-4-31-26(33)30(17-20-8-7-9-22(16-20)34-3)25(32)27(31)12-14-29(15-13-27)19-21-18-28(2)24-11-6-5-10-23(21)24/h5-11,16,18H,4,12-15,17,19H2,1-3H3
InChIKeyCLQUYJATBQCJJA-UHFFFAOYSA-N
XLogP4.01
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134543
8-[(2,4-difluorophenyl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135256
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147418
8-(2,2-diphenylethyl)-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225580
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274
3-[(3-methoxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-1-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 15951231
8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169897
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225516
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
8-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143804

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26230042) is 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2.
What is the InChIKey of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CLQUYJATBQCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-31-26(33)30(17-20-8-7-9-22(16-20)34-3)25(32)27(31)12-14-29(15-13-27)19-21-18-28(2)24-11-6-5-10-23(21)24/h5-11,16,18H,4,12-15,17,19H2,1-3H3.
What are the key properties of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 460.58 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26230042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).