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

C17H26N2O3 — CID 82193088

IUPAC4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCOc1ccc(C2C(N)CC(=O)N2CC(C)C)cc1OC
InChIInChI=1S/C17H26N2O3/c1-5-22-14-7-6-12(8-15(14)21-4)17-13(18)9-16(20)19(17)10-11(2)3/h6-8,11,13,17H,5,9-10,18H2,1-4H3
InChIKeyAEGXZBABIDLHCI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds6

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

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 82193088) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID82193088
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCOc1ccc(C2C(N)CC(=O)N2CC(C)C)cc1OC
InChIInChI=1S/C17H26N2O3/c1-5-22-14-7-6-12(8-15(14)21-4)17-13(18)9-16(20)19(17)10-11(2)3/h6-8,11,13,17H,5,9-10,18H2,1-4H3
InChIKeyAEGXZBABIDLHCI-UHFFFAOYSA-N
XLogP2.35
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
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-methylpyrrolidin-2-one
CID 82193026
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
CID 82193078
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 66479503
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
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
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one (CID 82193088) is 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one is CCOc1ccc(C2C(N)CC(=O)N2CC(C)C)cc1OC.
What is the InChIKey of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is AEGXZBABIDLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-22-14-7-6-12(8-15(14)21-4)17-13(18)9-16(20)19(17)10-11(2)3/h6-8,11,13,17H,5,9-10,18H2,1-4H3.
What are the key properties of 4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.35, 6 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-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 82193088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).