(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 7438121

IUPAC(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-3-13(4-2)17-16(20)12-10-15(19)18(11-12)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyCUMGLLVQTHSZFG-GFCCVEGCSA-N
MW274.36 g/mol
LogP2.34
Rot. Bonds5

About (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide

(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide (PubChem CID 7438121) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
PubChem CID7438121
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-3-13(4-2)17-16(20)12-10-15(19)18(11-12)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyCUMGLLVQTHSZFG-GFCCVEGCSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 91639880
(3R)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 100907003
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20842923
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 7962751
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide (CID 7438121) is (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is CUMGLLVQTHSZFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13(4-2)17-16(20)12-10-15(19)18(11-12)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide?
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).