1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H29N3O5 — CID 166613134

IUPAC1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(C1CCCOC1)N1CCC2(CC1)C(=O)N(CCO)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H29N3O5/c26-13-12-24-20(28)22(25(21(24)29)15-17-5-2-1-3-6-17)8-10-23(11-9-22)19(27)18-7-4-14-30-16-18/h1-3,5-6,18,26H,4,7-16H2
InChIKeyKRUNNEIEQHYYNE-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.23
Rot. Bonds5

About 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166613134) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166613134
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(C1CCCOC1)N1CCC2(CC1)C(=O)N(CCO)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H29N3O5/c26-13-12-24-20(28)22(25(21(24)29)15-17-5-2-1-3-6-17)8-10-23(11-9-22)19(27)18-7-4-14-30-16-18/h1-3,5-6,18,26H,4,7-16H2
InChIKeyKRUNNEIEQHYYNE-UHFFFAOYSA-N
XLogP1.23
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(2-hydroxyethyl)-8-(1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616248
1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427416
4-[1-benzyl-3-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 166613482
1-benzyl-3-(2-methoxyethyl)-8-(oxan-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134891
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
1-benzyl-3-propyl-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616678
1-benzyl-8-(4-methyl-1,3-oxazole-5-carbonyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619184
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
1-benzyl-3-(2-methoxyethyl)-8-(1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428107
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166613134) is 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(C1CCCOC1)N1CCC2(CC1)C(=O)N(CCO)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KRUNNEIEQHYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-13-12-24-20(28)22(25(21(24)29)15-17-5-2-1-3-6-17)8-10-23(11-9-22)19(27)18-7-4-14-30-16-18/h1-3,5-6,18,26H,4,7-16H2.
What are the key properties of 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166613134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).