N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 3156945

IUPACN-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1C
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-6-5-11(3)12(4)7-14/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyMFNXVSSRZNWHQF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3156945) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3156945
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1C
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-6-5-11(3)12(4)7-14/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyMFNXVSSRZNWHQF-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
1-(bicyclo[2.2.1]heptan-2-yl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 23647179
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 3156945) is N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is MFNXVSSRZNWHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-6-5-11(3)12(4)7-14/h5-7,10,13H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3156945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).