N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide

C21H26N2O3 — CID 46363631

IUPACN-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3/c1-3-26-15-7-14-22-20(25)21(2)13-12-19(24)23(21)18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,3,7,12-15H2,1-2H3,(H,22,25)
InChIKeyGMQIWUFBZPZYHL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.27
Rot. Bonds7

About N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide

N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363631) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363631
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3/c1-3-26-15-7-14-22-20(25)21(2)13-12-19(24)23(21)18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,3,7,12-15H2,1-2H3,(H,22,25)
InChIKeyGMQIWUFBZPZYHL-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide (CID 46363631) is N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide is CCOCCCNC(=O)C1(C)CCC(=O)N1c1cccc2ccccc12.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GMQIWUFBZPZYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-26-15-7-14-22-20(25)21(2)13-12-19(24)23(21)18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,3,7,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).