(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C19H28N2O2 — CID 9352300

IUPAC(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-14(2)20(12-15-9-7-6-8-10-15)18(23)16-11-17(22)21(13-16)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1
InChIKeyZYGZBKFMYOZAQM-INIZCTEOSA-N
MW316.44 g/mol
LogP3.07
Rot. Bonds4

About (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 9352300) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID9352300
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-14(2)20(12-15-9-7-6-8-10-15)18(23)16-11-17(22)21(13-16)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1
InChIKeyZYGZBKFMYOZAQM-INIZCTEOSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
N-benzyl-1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113185023
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 9352300) is (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZYGZBKFMYOZAQM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)20(12-15-9-7-6-8-10-15)18(23)16-11-17(22)21(13-16)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9352300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).