N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide

C17H24N2O2 — CID 167289629

IUPACN-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CC2(CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c1-13-4-3-5-14(2)16(13)18-15(20)10-19-11-17(12-19)6-8-21-9-7-17/h3-5H,6-12H2,1-2H3,(H,18,20)
InChIKeyVIMTXINSDGCDLY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.35
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide

N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide (PubChem CID 167289629) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
PubChem CID167289629
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CC2(CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c1-13-4-3-5-14(2)16(13)18-15(20)10-19-11-17(12-19)6-8-21-9-7-17/h3-5H,6-12H2,1-2H3,(H,18,20)
InChIKeyVIMTXINSDGCDLY-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
CID 167289604
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide (CID 167289629) is N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide is Cc1cccc(C)c1NC(=O)CN1CC2(CCOCC2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide?
The InChIKey is VIMTXINSDGCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-4-3-5-14(2)16(13)18-15(20)10-19-11-17(12-19)6-8-21-9-7-17/h3-5H,6-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide is sourced from PubChem (CID 167289629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).