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

C18H24ClN3O3 — CID 2575624

IUPAC3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-21(11-12-25-15-7-5-14(19)6-8-15)13-22-16(23)18(20-17(22)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyPVVZZPLXWWQCSV-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.86
Rot. Bonds6

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

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2575624) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2575624
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-21(11-12-25-15-7-5-14(19)6-8-15)13-22-16(23)18(20-17(22)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyPVVZZPLXWWQCSV-UHFFFAOYSA-N
XLogP2.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2575624) is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PVVZZPLXWWQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-21(11-12-25-15-7-5-14(19)6-8-15)13-22-16(23)18(20-17(22)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,24).
What are the key properties of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 365.86 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2575624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).