N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C16H20N2O2 — CID 154993891

IUPACN-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC1(C)C(=O)N[C@H](c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C16H20N2O2/c1-16(2)13(18-14(19)11-8-9-11)12(17-15(16)20)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t12-,13?/m1/s1
InChIKeyBEXIBYVERNRXMU-PZORYLMUSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds3

About N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154993891) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154993891
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC1(C)C(=O)N[C@H](c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C16H20N2O2/c1-16(2)13(18-14(19)11-8-9-11)12(17-15(16)20)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t12-,13?/m1/s1
InChIKeyBEXIBYVERNRXMU-PZORYLMUSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 154983228
N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 154641908
(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
CID 154983209
tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154598023
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate
CID 154983246
benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 154598099
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
(6R,7R)-4-oxo-6-phenyl-5-azaspiro[2.4]heptane-7-carboxylic acid
CID 154598040
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154993891) is N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is CC1(C)C(=O)N[C@H](c2ccccc2)C1NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is BEXIBYVERNRXMU-PZORYLMUSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)13(18-14(19)11-8-9-11)12(17-15(16)20)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t12-,13?/m1/s1.
What are the key properties of N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154993891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).