N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

C20H27N3O2 — CID 119457794

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NC3CC4CCC(C3)N4)C2=O)c1
InChIInChI=1S/C20H27N3O2/c1-12-7-13(2)9-17(8-12)23-6-5-18(20(23)25)19(24)22-16-10-14-3-4-15(11-16)21-14/h7-9,14-16,18,21H,3-6,10-11H2,1-2H3,(H,22,24)
InChIKeyDLGYGCJGYBROQK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.06
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119457794) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119457794
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NC3CC4CCC(C3)N4)C2=O)c1
InChIInChI=1S/C20H27N3O2/c1-12-7-13(2)9-17(8-12)23-6-5-18(20(23)25)19(24)22-16-10-14-3-4-15(11-16)21-14/h7-9,14-16,18,21H,3-6,10-11H2,1-2H3,(H,22,24)
InChIKeyDLGYGCJGYBROQK-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119457791
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 120568728
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
1-(3,5-dimethylphenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one
CID 91643063
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 119457794) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NC3CC4CCC(C3)N4)C2=O)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is DLGYGCJGYBROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12-7-13(2)9-17(8-12)23-6-5-18(20(23)25)19(24)22-16-10-14-3-4-15(11-16)21-14/h7-9,14-16,18,21H,3-6,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).