N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide

C19H28N2O2 — CID 167289604

IUPACN-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-4-3-5-16(2)18(15)20-17(22)14-21-10-6-19(7-11-21)8-12-23-13-9-19/h3-5H,6-14H2,1-2H3,(H,20,22)
InChIKeyCFHLYQLBLVSYSH-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.13
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide

N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide (PubChem CID 167289604) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
PubChem CID167289604
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-4-3-5-16(2)18(15)20-17(22)14-21-10-6-19(7-11-21)8-12-23-13-9-19/h3-5H,6-14H2,1-2H3,(H,20,22)
InChIKeyCFHLYQLBLVSYSH-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 167289629
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
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-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
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
2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide
CID 110162268
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917553

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide (CID 167289604) is N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCC2(CCOCC2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide?
The InChIKey is CFHLYQLBLVSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-4-3-5-16(2)18(15)20-17(22)14-21-10-6-19(7-11-21)8-12-23-13-9-19/h3-5H,6-14H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide has a molecular weight of 316.44 g/mol, XLogP of 3.13, 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-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide is sourced from PubChem (CID 167289604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).