1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H31N5O3 — CID 26231528

IUPAC1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C19H31N5O3/c1-14(2)11-23-17(25)19(24(18(23)26)9-10-27-4)5-7-22(8-6-19)12-16-15(3)20-13-21-16/h13-14H,5-12H2,1-4H3,(H,20,21)
InChIKeyBLJASTDLEWMZIC-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.62
Rot. Bonds7

About 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26231528) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26231528
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C19H31N5O3/c1-14(2)11-23-17(25)19(24(18(23)26)9-10-27-4)5-7-22(8-6-19)12-16-15(3)20-13-21-16/h13-14H,5-12H2,1-4H3,(H,20,21)
InChIKeyBLJASTDLEWMZIC-UHFFFAOYSA-N
XLogP1.62
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26231528) is 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BLJASTDLEWMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-14(2)11-23-17(25)19(24(18(23)26)9-10-27-4)5-7-22(8-6-19)12-16-15(3)20-13-21-16/h13-14H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 377.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).