2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C16H18N2O3 — CID 7819453

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H18N2O3/c19-14(10-18-15(20)8-9-16(18)21)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,19)/t13-/m0/s1
InChIKeyVJUZFKKXLHTTMJ-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.33
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 7819453) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID7819453
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H18N2O3/c19-14(10-18-15(20)8-9-16(18)21)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,19)/t13-/m0/s1
InChIKeyVJUZFKKXLHTTMJ-ZDUSSCGKSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7823957
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129421535
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40920221
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40920220
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2420423
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7894058
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51142666

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 7819453) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CN1C(=O)CCC1=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is VJUZFKKXLHTTMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(10-18-15(20)8-9-16(18)21)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 7819453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).