(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide

C17H24N2O2 — CID 67464438

IUPAC(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-5-19-15(6-7-16(19)20)17(21)18-10-14-12(3)8-11(2)9-13(14)4/h8-9,15H,5-7,10H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyZPUKEWPDIGTVLO-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds4

About (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 67464438) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID67464438
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-5-19-15(6-7-16(19)20)17(21)18-10-14-12(3)8-11(2)9-13(14)4/h8-9,15H,5-7,10H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyZPUKEWPDIGTVLO-HNNXBMFYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 67464438) is (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1c(C)cc(C)cc1C.
What is the InChIKey of (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZPUKEWPDIGTVLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19-15(6-7-16(19)20)17(21)18-10-14-12(3)8-11(2)9-13(14)4/h8-9,15H,5-7,10H2,1-4H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67464438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).