N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide

C17H20N2O2 — CID 168500213

IUPACN-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide
SMILESC#CC1CC(=O)N(c2ccc(NC(=O)C(C)(C)C)cc2)C1
InChIInChI=1S/C17H20N2O2/c1-5-12-10-15(20)19(11-12)14-8-6-13(7-9-14)18-16(21)17(2,3)4/h1,6-9,12H,10-11H2,2-4H3,(H,18,21)
InChIKeyWEDGCIOTOPWCRJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.66
Rot. Bonds2

About N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide

N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 168500213) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID168500213
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide
SMILESC#CC1CC(=O)N(c2ccc(NC(=O)C(C)(C)C)cc2)C1
InChIInChI=1S/C17H20N2O2/c1-5-12-10-15(20)19(11-12)14-8-6-13(7-9-14)18-16(21)17(2,3)4/h1,6-9,12H,10-11H2,2-4H3,(H,18,21)
InChIKeyWEDGCIOTOPWCRJ-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 19879283
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260
1-[4-[(4-aminophenyl)methyl]phenyl]-4-ethynylpyrrolidin-2-one
CID 168502773
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 17203658
tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659109
methyl 4-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168500772
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502280
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
4-(4-ethynyl-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168501074

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide (CID 168500213) is N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide is C#CC1CC(=O)N(c2ccc(NC(=O)C(C)(C)C)cc2)C1.
What is the InChIKey of N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is WEDGCIOTOPWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-12-10-15(20)19(11-12)14-8-6-13(7-9-14)18-16(21)17(2,3)4/h1,6-9,12H,10-11H2,2-4H3,(H,18,21).
What are the key properties of N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168500213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).