3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H31N3O3 — CID 165424705

IUPAC3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)CCCc1ccccc1)CC2
InChIInChI=1S/C22H31N3O3/c1-17(2)16-25-21(28)23(3)20(27)22(25)12-14-24(15-13-22)19(26)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3
InChIKeyRMYVCBKAQXUCJK-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.92
Rot. Bonds6

About 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165424705) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165424705
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)CCCc1ccccc1)CC2
InChIInChI=1S/C22H31N3O3/c1-17(2)16-25-21(28)23(3)20(27)22(25)12-14-24(15-13-22)19(26)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3
InChIKeyRMYVCBKAQXUCJK-UHFFFAOYSA-N
XLogP2.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(2-methylpropyl)-8-(3-pyridin-4-ylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165426641
8-[2-(2,4-difluorophenyl)acetyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428635
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
8-[3-(4-chloropyrazol-1-yl)propanoyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;formic acid
CID 171322772
3-methyl-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428440
4-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzonitrile
CID 165417513
8-acetyl-1-(2-methylpropyl)-3-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623714
acetic acid;3-methyl-1-(2-methylpropyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171322572
3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418306
1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622379
acetic acid;8-(2-fluoro-4-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166600307
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 166598743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165424705) is 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)CCCc1ccccc1)CC2.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RMYVCBKAQXUCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17(2)16-25-21(28)23(3)20(27)22(25)12-14-24(15-13-22)19(26)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 385.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165424705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).