N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

C17H25N3O2 — CID 119628688

IUPACN-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCC(C)(C)N)C2=O)c1
InChIInChI=1S/C17H25N3O2/c1-11-7-12(2)9-13(8-11)20-6-5-14(16(20)22)15(21)19-10-17(3,4)18/h7-9,14H,5-6,10,18H2,1-4H3,(H,19,21)
InChIKeyHYJKOUGICTUIPK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119628688) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119628688
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCC(C)(C)N)C2=O)c1
InChIInChI=1S/C17H25N3O2/c1-11-7-12(2)9-13(8-11)20-6-5-14(16(20)22)15(21)19-10-17(3,4)18/h7-9,14H,5-6,10,18H2,1-4H3,(H,19,21)
InChIKeyHYJKOUGICTUIPK-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.51
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-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
CID 111697394
N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 120568728
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119655180

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 119628688) is N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NCC(C)(C)N)C2=O)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HYJKOUGICTUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-7-12(2)9-13(8-11)20-6-5-14(16(20)22)15(21)19-10-17(3,4)18/h7-9,14H,5-6,10,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119628688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).