2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

C19H24N2O4 — CID 70312038

IUPAC2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC3OC(C)O3)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-24-16(25-13)12-21-18(22)17(14-6-8-15(23-2)9-7-14)20-19(21)10-4-3-5-11-19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyJTTLYOAOCSVYRM-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 70312038) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID70312038
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC3OC(C)O3)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-24-16(25-13)12-21-18(22)17(14-6-8-15(23-2)9-7-14)20-19(21)10-4-3-5-11-19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyJTTLYOAOCSVYRM-UHFFFAOYSA-N
XLogP2.71
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 22424943
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24746337
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 23603208
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53490445
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408
2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
CID 143400887
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 70312038) is 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is COc1ccc(C2=NC3(CCCCC3)N(CC3OC(C)O3)C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is JTTLYOAOCSVYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-24-16(25-13)12-21-18(22)17(14-6-8-15(23-2)9-7-14)20-19(21)10-4-3-5-11-19/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 344.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 70312038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).