(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide

C14H18N2O3 — CID 94506053

IUPAC(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
SMILESCONC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C14H18N2O3/c1-9-6-10(2)8-11(7-9)16-5-4-12(14(16)18)13(17)15-19-3/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyQHVCYLMWWZYKPQ-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds3

About (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide

(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 94506053) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
PubChem CID94506053
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
SMILESCONC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C14H18N2O3/c1-9-6-10(2)8-11(7-9)16-5-4-12(14(16)18)13(17)15-19-3/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyQHVCYLMWWZYKPQ-LBPRGKRZSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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-(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
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
CID 111697394
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
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide (CID 94506053) is (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide is CONC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is QHVCYLMWWZYKPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-10(2)8-11(7-9)16-5-4-12(14(16)18)13(17)15-19-3/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94506053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).