N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide

C21H32N2O3 — CID 124808239

IUPACN,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide
SMILESCc1ccccc1CN1CC2(C[C@H](CCOCC(=O)N(C)C)CCO2)C1
InChIInChI=1S/C21H32N2O3/c1-17-6-4-5-7-19(17)13-23-15-21(16-23)12-18(9-11-26-21)8-10-25-14-20(24)22(2)3/h4-7,18H,8-16H2,1-3H3/t18-/m1/s1
InChIKeyQRWZTYJHCYOUJY-GOSISDBHSA-N
MW360.50 g/mol
LogP2.47
Rot. Bonds7

About N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide

N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide (PubChem CID 124808239) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide
PubChem CID124808239
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide
SMILESCc1ccccc1CN1CC2(C[C@H](CCOCC(=O)N(C)C)CCO2)C1
InChIInChI=1S/C21H32N2O3/c1-17-6-4-5-7-19(17)13-23-15-21(16-23)12-18(9-11-26-21)8-10-25-14-20(24)22(2)3/h4-7,18H,8-16H2,1-3H3/t18-/m1/s1
InChIKeyQRWZTYJHCYOUJY-GOSISDBHSA-N
XLogP2.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200
8-[2-(cyclopropylmethoxy)ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155848112
N,N-dimethyl-2-[[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 133141294
8-(2-methoxyethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131651440
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
2-[(2-methylphenyl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155860800
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124797928
2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
CID 131663415
N,N-dimethyl-2-[[(8S)-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 124807515
(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789023
(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124835395
N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide (CID 124808239) is N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide is Cc1ccccc1CN1CC2(C[C@H](CCOCC(=O)N(C)C)CCO2)C1.
What is the InChIKey of N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide?
The InChIKey is QRWZTYJHCYOUJY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-17-6-4-5-7-19(17)13-23-15-21(16-23)12-18(9-11-26-21)8-10-25-14-20(24)22(2)3/h4-7,18H,8-16H2,1-3H3/t18-/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide?
N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide is sourced from PubChem (CID 124808239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).