4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one

C14H20N2O3 — CID 82193026

IUPAC4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCCOc1ccc(C2C(N)CC(=O)N2C)cc1OC
InChIInChI=1S/C14H20N2O3/c1-4-19-11-6-5-9(7-12(11)18-3)14-10(15)8-13(17)16(14)2/h5-7,10,14H,4,8,15H2,1-3H3
InChIKeyOTQGXLHQZJEPMI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one (PubChem CID 82193026) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
PubChem CID82193026
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCCOc1ccc(C2C(N)CC(=O)N2C)cc1OC
InChIInChI=1S/C14H20N2O3/c1-4-19-11-6-5-9(7-12(11)18-3)14-10(15)8-13(17)16(14)2/h5-7,10,14H,4,8,15H2,1-3H3
InChIKeyOTQGXLHQZJEPMI-UHFFFAOYSA-N
XLogP1.32
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
CID 82193078
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82193192
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one
CID 82193025
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one (CID 82193026) is 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one is CCOc1ccc(C2C(N)CC(=O)N2C)cc1OC.
What is the InChIKey of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one?
The InChIKey is OTQGXLHQZJEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-11-6-5-9(7-12(11)18-3)14-10(15)8-13(17)16(14)2/h5-7,10,14H,4,8,15H2,1-3H3.
What are the key properties of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one?
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 82193026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).