1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119552795

IUPAC1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)N(C)C3CCNC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-8-13(2)10-15(9-12)21-7-5-16(18(21)23)17(22)20(3)14-4-6-19-11-14;/h8-10,14,16,19H,4-7,11H2,1-3H3;1H
InChIKeyAFNUJHVEXSIWHN-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.90
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119552795) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119552795
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)N(C)C3CCNC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-8-13(2)10-15(9-12)21-7-5-16(18(21)23)17(22)20(3)14-4-6-19-11-14;/h8-10,14,16,19H,4-7,11H2,1-3H3;1H
InChIKeyAFNUJHVEXSIWHN-UHFFFAOYSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119552795) is 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(N2CCC(C(=O)N(C)C3CCNC3)C2=O)c1.Cl.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AFNUJHVEXSIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-12-8-13(2)10-15(9-12)21-7-5-16(18(21)23)17(22)20(3)14-4-6-19-11-14;/h8-10,14,16,19H,4-7,11H2,1-3H3;1H.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119552795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).