3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C24H29N3O2 — CID 18149953

IUPAC3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CN(C)C(c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C24H29N3O2/c1-18-11-9-10-16-24(18)22(28)27(23(29)25-24)17-26(2)21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,18,21H,9-11,16-17H2,1-2H3,(H,25,29)
InChIKeyPWZCSMIWRCYVCV-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.17
Rot. Bonds5

About 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18149953) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18149953
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CN(C)C(c1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C24H29N3O2/c1-18-11-9-10-16-24(18)22(28)27(23(29)25-24)17-26(2)21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,18,21H,9-11,16-17H2,1-2H3,(H,25,29)
InChIKeyPWZCSMIWRCYVCV-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124838172
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
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
3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26005418
3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 42937052
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7715612
(5R,6S)-3-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30014671
3-[[[4-(dimethylamino)phenyl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17447752
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012

Frequently Asked Questions

What is the IUPAC name of 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18149953) is 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(CN(C)C(c1ccccc1)c1ccccc1)C2=O.
What is the InChIKey of 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PWZCSMIWRCYVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-11-9-10-16-24(18)22(28)27(23(29)25-24)17-26(2)21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,18,21H,9-11,16-17H2,1-2H3,(H,25,29).
What are the key properties of 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 391.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18149953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).