N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

C14H18N2O3 — CID 42656558

IUPACN-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cccc(OC)c2)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-15-13(17)12-7-8-16(14(12)18)10-5-4-6-11(9-10)19-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyCWTLKWPKHLISLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.18
Rot. Bonds4

About N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42656558) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42656558
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cccc(OC)c2)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-15-13(17)12-7-8-16(14(12)18)10-5-4-6-11(9-10)19-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyCWTLKWPKHLISLK-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 42656558) is N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2cccc(OC)c2)C1=O.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CWTLKWPKHLISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-15-13(17)12-7-8-16(14(12)18)10-5-4-6-11(9-10)19-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42656558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).