1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide

C16H22N2O2 — CID 46705179

IUPAC1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)17-15(20)13-9-14(19)18(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)
InChIKeyFTTKXVJPWOLZNS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds3

About 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46705179) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46705179
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)17-15(20)13-9-14(19)18(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)
InChIKeyFTTKXVJPWOLZNS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nebracetam
CID 65926
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Smac peptido-mimetic 1
CID 11200722
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 23646337
L-valyl-L-proline benzylamide
CID 11645153
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 46705179) is 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FTTKXVJPWOLZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)17-15(20)13-9-14(19)18(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20).
What are the key properties of 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46705179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).