2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one

C20H30N2O2 — CID 175913088

IUPAC2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CCC2=O)CC3N(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-15(2)13-24-17-7-5-16(6-8-17)12-22-14-20(10-9-19(22)23)11-18(20)21(3)4/h5-8,15,18H,9-14H2,1-4H3
InChIKeyDUJPBFFSNSXNGW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.16
Rot. Bonds6

About 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one

2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one (PubChem CID 175913088) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one
PubChem CID175913088
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CCC2=O)CC3N(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-15(2)13-24-17-7-5-16(6-8-17)12-22-14-20(10-9-19(22)23)11-18(20)21(3)4/h5-8,15,18H,9-14H2,1-4H3
InChIKeyDUJPBFFSNSXNGW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one
CID 175913034
[1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672681
5-[[4-(2-methylpropoxy)phenyl]methyl]-7-(1-propan-2-ylpiperidin-4-yl)-5,7-diazaspiro[2.5]octan-6-one
CID 175913039
5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one
CID 175913038
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
2-[[4-(2-methylpropoxy)phenyl]methyl]-4-piperidin-4-yl-1,5-dihydro-2,4-benzodiazepin-3-one
CID 166492608
1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
CID 129101345
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
5-methyl-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]-5-phenyl-1,3-diazinan-2-one
CID 175913031
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one?
The IUPAC name of 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one (CID 175913088) is 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one is CC(C)COc1ccc(CN2CC3(CCC2=O)CC3N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one?
The InChIKey is DUJPBFFSNSXNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)13-24-17-7-5-16(6-8-17)12-22-14-20(10-9-19(22)23)11-18(20)21(3)4/h5-8,15,18H,9-14H2,1-4H3.
What are the key properties of 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one?
2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one has a molecular weight of 330.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one is sourced from PubChem (CID 175913088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).