N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide

C17H18N2O3 — CID 2870755

IUPACN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O3/c1-11(20)18(2)14-15(19-9-5-6-10-19)17(22)13-8-4-3-7-12(13)16(14)21/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUQBFVFKFLDBADD-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.85
Rot. Bonds2

About N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide

N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide (PubChem CID 2870755) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide
PubChem CID2870755
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O3/c1-11(20)18(2)14-15(19-9-5-6-10-19)17(22)13-8-4-3-7-12(13)16(14)21/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUQBFVFKFLDBADD-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The IUPAC name of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide (CID 2870755) is N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide is CC(=O)N(C)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
The InChIKey is UQBFVFKFLDBADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(20)18(2)14-15(19-9-5-6-10-19)17(22)13-8-4-3-7-12(13)16(14)21/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide?
N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide has a molecular weight of 298.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-methylacetamide is sourced from PubChem (CID 2870755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).