N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H20N2O3 — CID 51103042

IUPACN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(C(=O)C1CCCc2ccccc21)C1CC(=O)NC1=O
InChIInChI=1S/C17H20N2O3/c1-2-19(14-10-15(20)18-16(14)21)17(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,18,20,21)
InChIKeyZJIOFLOVFGWXMM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds3

About N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 51103042) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID51103042
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(C(=O)C1CCCc2ccccc21)C1CC(=O)NC1=O
InChIInChI=1S/C17H20N2O3/c1-2-19(14-10-15(20)18-16(14)21)17(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,18,20,21)
InChIKeyZJIOFLOVFGWXMM-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 51103042) is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCN(C(=O)C1CCCc2ccccc21)C1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZJIOFLOVFGWXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-19(14-10-15(20)18-16(14)21)17(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,18,20,21).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 51103042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).