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

C18H24N2O3 — CID 2519931

IUPAC8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1OCCN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-13-7-9-18(10-8-13)16(21)20(17(22)19-18)11-12-23-15-6-4-3-5-14(15)2/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyHTYLRTZUPPRREW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds4

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

8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2519931) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2519931
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1OCCN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-13-7-9-18(10-8-13)16(21)20(17(22)19-18)11-12-23-15-6-4-3-5-14(15)2/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyHTYLRTZUPPRREW-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2519931) is 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccccc1OCCN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HTYLRTZUPPRREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-7-9-18(10-8-13)16(21)20(17(22)19-18)11-12-23-15-6-4-3-5-14(15)2/h3-6,13H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2519931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).