N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide

C19H26N2O2 — CID 86771688

IUPACN-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccccc2C)CC12CCCC2
InChIInChI=1S/C19H26N2O2/c1-14-7-3-4-8-15(14)11-17(22)21-12-16(18(23)20-2)19(13-21)9-5-6-10-19/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyGEULNLLNTNMJNE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.30
Rot. Bonds3

About N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide

N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 86771688) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID86771688
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccccc2C)CC12CCCC2
InChIInChI=1S/C19H26N2O2/c1-14-7-3-4-8-15(14)11-17(22)21-12-16(18(23)20-2)19(13-21)9-5-6-10-19/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyGEULNLLNTNMJNE-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide (CID 86771688) is N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(C(=O)Cc2ccccc2C)CC12CCCC2.
What is the InChIKey of N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is GEULNLLNTNMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-7-3-4-8-15(14)11-17(22)21-12-16(18(23)20-2)19(13-21)9-5-6-10-19/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide?
N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylphenyl)acetyl]-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 86771688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).