3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H23Cl2N3O2 — CID 2688325

IUPAC3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H23Cl2N3O2/c1-12-5-7-18(8-6-12)16(24)23(17(25)21-18)11-22(2)10-13-3-4-14(19)15(20)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,25)
InChIKeyCFUCYYHBBPEAET-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.88
Rot. Bonds4

About 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2688325) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2688325
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H23Cl2N3O2/c1-12-5-7-18(8-6-12)16(24)23(17(25)21-18)11-22(2)10-13-3-4-14(19)15(20)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,25)
InChIKeyCFUCYYHBBPEAET-UHFFFAOYSA-N
XLogP3.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.88
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

3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
CID 2505844
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9281596
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione
CID 9241221
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
(5S,9S)-3-[[(4-bromophenyl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26003013
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78727003
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645
3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 104513859
3-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31948869

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2688325) is 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CFUCYYHBBPEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c1-12-5-7-18(8-6-12)16(24)23(17(25)21-18)11-22(2)10-13-3-4-14(19)15(20)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,25).
What are the key properties of 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 384.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2688325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).