N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H18N2O3 — CID 2961566

IUPACN-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1
InChIInChI=1S/C14H18N2O3/c1-3-19-12-6-4-5-11(8-12)15-14(18)10-7-13(17)16(2)9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyNPIVKWDWLUWVIF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds4

About N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2961566) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2961566
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1
InChIInChI=1S/C14H18N2O3/c1-3-19-12-6-4-5-11(8-12)15-14(18)10-7-13(17)16(2)9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyNPIVKWDWLUWVIF-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 2961566) is N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NPIVKWDWLUWVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-12-6-4-5-11(8-12)15-14(18)10-7-13(17)16(2)9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2961566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).