N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide

C21H28N2O2 — CID 154579514

IUPACN-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccccc1CC(=O)N1CC(C(=O)NCC2CC2)C2(CCC2)C1
InChIInChI=1S/C21H28N2O2/c1-15-5-2-3-6-17(15)11-19(24)23-13-18(21(14-23)9-4-10-21)20(25)22-12-16-7-8-16/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,22,25)
InChIKeyJNOGUPPIMSFLBV-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.69
Rot. Bonds5

About N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide

N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579514) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579514
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccccc1CC(=O)N1CC(C(=O)NCC2CC2)C2(CCC2)C1
InChIInChI=1S/C21H28N2O2/c1-15-5-2-3-6-17(15)11-19(24)23-13-18(21(14-23)9-4-10-21)20(25)22-12-16-7-8-16/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,22,25)
InChIKeyJNOGUPPIMSFLBV-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924922
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077997
N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579548
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 155881305
6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579463
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 146068143
(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 155875455
N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155876734
(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 97375336

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide (CID 154579514) is N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide is Cc1ccccc1CC(=O)N1CC(C(=O)NCC2CC2)C2(CCC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is JNOGUPPIMSFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-5-2-3-6-17(15)11-19(24)23-13-18(21(14-23)9-4-10-21)20(25)22-12-16-7-8-16/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide?
N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).