N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C22H32N2O2 — CID 45351822

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C22H32N2O2/c1-14-10-17(22(3,4)5)11-15(2)19(14)8-9-23-21(26)16-12-20(25)24(13-16)18-6-7-18/h10-11,16,18H,6-9,12-13H2,1-5H3,(H,23,26)
InChIKeyLYLSKPDCIKWIEY-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 45351822) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID45351822
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C22H32N2O2/c1-14-10-17(22(3,4)5)11-15(2)19(14)8-9-23-21(26)16-12-20(25)24(13-16)18-6-7-18/h10-11,16,18H,6-9,12-13H2,1-5H3,(H,23,26)
InChIKeyLYLSKPDCIKWIEY-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97123174
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007
1-cyclopropyl-5-oxo-N-[(E)-pent-3-enyl]pyrrolidine-3-carboxamide
CID 115628313
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567832
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 45351822) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LYLSKPDCIKWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-14-10-17(22(3,4)5)11-15(2)19(14)8-9-23-21(26)16-12-20(25)24(13-16)18-6-7-18/h10-11,16,18H,6-9,12-13H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45351822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).