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

C19H21N3O3 — CID 45233435

IUPAC2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O3/c1-13(23)20-10-18(24)21-16-9-19(25)22(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyVMRLKQJYKAJMHC-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.19
Rot. Bonds5

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

2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 45233435) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID45233435
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O3/c1-13(23)20-10-18(24)21-16-9-19(25)22(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyVMRLKQJYKAJMHC-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 95729153
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
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]-4-(tetrazol-1-yl)butanamide
CID 95713181
N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 56912345

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide (CID 45233435) is 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is CC(=O)NCC(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is VMRLKQJYKAJMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(23)20-10-18(24)21-16-9-19(25)22(12-16)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide?
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 45233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).