N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C14H18N2O4 — CID 78981746

IUPACN-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(NC(=O)C2CNC(=O)C2)ccc1OC
InChIInChI=1S/C14H18N2O4/c1-3-20-12-7-10(4-5-11(12)19-2)16-14(18)9-6-13(17)15-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRNSWFMEFVRIJB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds5

About N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981746) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981746
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(NC(=O)C2CNC(=O)C2)ccc1OC
InChIInChI=1S/C14H18N2O4/c1-3-20-12-7-10(4-5-11(12)19-2)16-14(18)9-6-13(17)15-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRNSWFMEFVRIJB-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
2-(azetidin-3-yl)-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 64617201
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
N-(3-ethoxy-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119286177
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78981746) is N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1cc(NC(=O)C2CNC(=O)C2)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CRNSWFMEFVRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-20-12-7-10(4-5-11(12)19-2)16-14(18)9-6-13(17)15-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).