methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium

C19H28N3O2+ — CID 11924327

IUPACmethyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H27N3O2/c1-14-8-4-5-10-16(14)12-21(3)13-22-17(23)19(20-18(22)24)11-7-6-9-15(19)2/h4-5,8,10,15H,6-7,9,11-13H2,1-3H3,(H,20,24)/p+1/t15-,19+/m0/s1
InChIKeyFEJDNVMYXXKGHL-HNAYVOBHSA-O
MW330.45 g/mol
LogP1.47
Rot. Bonds4

About methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium

methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium (PubChem CID 11924327) has the molecular formula C19H28N3O2+ and a molecular weight of 330.45 g/mol. Its IUPAC name is methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium
PubChem CID11924327
Molecular FormulaC19H28N3O2+
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC Namemethyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H27N3O2/c1-14-8-4-5-10-16(14)12-21(3)13-22-17(23)19(20-18(22)24)11-7-6-9-15(19)2/h4-5,8,10,15H,6-7,9,11-13H2,1-3H3,(H,20,24)/p+1/t15-,19+/m0/s1
InChIKeyFEJDNVMYXXKGHL-HNAYVOBHSA-O
XLogP1.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium 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

1,3-benzothiazol-2-ylmethyl-methyl-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]azanium
CID 9282278
methyl-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(4-morpholin-4-ylphenyl)methyl]azanium
CID 9296593
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17423916
(5S,6R)-3-[[(2-chlorophenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31910628
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707

Frequently Asked Questions

What is the IUPAC name of methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium?
The IUPAC name of methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium (CID 11924327) is methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium?
The InChIKey is FEJDNVMYXXKGHL-HNAYVOBHSA-O. The full InChI is InChI=1S/C19H27N3O2/c1-14-8-4-5-10-16(14)12-21(3)13-22-17(23)19(20-18(22)24)11-7-6-9-15(19)2/h4-5,8,10,15H,6-7,9,11-13H2,1-3H3,(H,20,24)/p+1/t15-,19+/m0/s1.
What are the key properties of methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium?
methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium has a molecular weight of 330.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 11924327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).