1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

C20H30N2O2 — CID 72874996

IUPAC1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C20H30N2O2/c1-3-14-24-15-13-22-11-9-20(10-12-22)16-18(19(23)21(20)2)17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3
InChIKeyRJVCBHBFUUSTLG-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.89
Rot. Bonds6

About 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72874996) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72874996
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C20H30N2O2/c1-3-14-24-15-13-22-11-9-20(10-12-22)16-18(19(23)21(20)2)17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3
InChIKeyRJVCBHBFUUSTLG-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 72874996) is 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one is CCCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N2C.
What is the InChIKey of 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RJVCBHBFUUSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-14-24-15-13-22-11-9-20(10-12-22)16-18(19(23)21(20)2)17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3.
What are the key properties of 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 330.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72874996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).