2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide

C22H24N4O2 — CID 95729153

IUPAC2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCc1nccn1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-2-20-23-10-11-25(20)15-21(27)24-18-12-22(28)26(14-18)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,18H,2,12-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyLXGZMMRTBIOGGM-GOSISDBHSA-N
MW376.46 g/mol
LogP2.52
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide

2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 95729153) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID95729153
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCc1nccn1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-2-20-23-10-11-25(20)15-21(27)24-18-12-22(28)26(14-18)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,18H,2,12-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyLXGZMMRTBIOGGM-GOSISDBHSA-N
XLogP2.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 95713181
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-5-propyl-1,2-oxazole-4-carboxamide
CID 95727197
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (CID 95729153) is 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is CCc1nccn1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is LXGZMMRTBIOGGM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-20-23-10-11-25(20)15-21(27)24-18-12-22(28)26(14-18)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,18H,2,12-15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95729153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).