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

C16H22N2O2 — CID 110795309

IUPAC5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-10-8-11(2)13(12(3)9-10)6-7-17-16(20)14-4-5-15(19)18-14/h8-9,14H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySTTFVVUCEYPZNB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.55
Rot. Bonds4

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

5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 110795309) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID110795309
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-10-8-11(2)13(12(3)9-10)6-7-17-16(20)14-4-5-15(19)18-14/h8-9,14H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySTTFVVUCEYPZNB-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Rolicyprine
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L-Alanyl-L-Valyl-N-(2,2-Diphenylethyl)-L-Prolinamide
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(2S)-1-((S)-2-aminobutanoyl)-4-benzyl-N-butylpyrrolidine-2-carboxamide
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(2S)-1-{[(2S,4R)-4-(2,6-dimethylphenyl)-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 44429129
(2S)-1-ethyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864951
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 110795309) is 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1cc(C)c(CCNC(=O)C2CCC(=O)N2)c(C)c1.
What is the InChIKey of 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is STTFVVUCEYPZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-8-11(2)13(12(3)9-10)6-7-17-16(20)14-4-5-15(19)18-14/h8-9,14H,4-7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).