2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

C20H30N2O3 — CID 124809200

IUPAC2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCc1ccc(C)c(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(9-15)11-22-13-20(14-22)10-18(7-8-25-20)24-12-19(23)21(3)4/h5-6,9,18H,7-8,10-14H2,1-4H3/t18-/m1/s1
InChIKeySKMICMSPILQBKD-GOSISDBHSA-N
MW346.47 g/mol
LogP2.14
Rot. Bonds5

About 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (PubChem CID 124809200) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
PubChem CID124809200
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCc1ccc(C)c(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(9-15)11-22-13-20(14-22)10-18(7-8-25-20)24-12-19(23)21(3)4/h5-6,9,18H,7-8,10-14H2,1-4H3/t18-/m1/s1
InChIKeySKMICMSPILQBKD-GOSISDBHSA-N
XLogP2.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[[(8S)-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 124807515
2-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155833689
N,N-dimethyl-2-[[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 133141294
N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide
CID 124808239
2-[[(8R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124819708
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661
2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine
CID 131651846
(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124870220
2-[[2-[(4-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155840227
2-[[(8S)-2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785582
2-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155830608
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022

Frequently Asked Questions

What is the IUPAC name of 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (CID 124809200) is 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is Cc1ccc(C)c(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)c1.
What is the InChIKey of 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is SKMICMSPILQBKD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(9-15)11-22-13-20(14-22)10-18(7-8-25-20)24-12-19(23)21(3)4/h5-6,9,18H,7-8,10-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 346.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124809200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).