1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one

C21H26N2O4 — CID 10248588

IUPAC1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one
SMILESCCOCCOc1cc(C2CC(=O)N(c3cccc(N)c3)C2)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-3-26-9-10-27-20-11-15(7-8-19(20)25-2)16-12-21(24)23(14-16)18-6-4-5-17(22)13-18/h4-8,11,13,16H,3,9-10,12,14,22H2,1-2H3
InChIKeyRVSNEUXIYPBNEM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.21
Rot. Bonds8

About 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one

1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one (PubChem CID 10248588) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one
PubChem CID10248588
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one
SMILESCCOCCOc1cc(C2CC(=O)N(c3cccc(N)c3)C2)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-3-26-9-10-27-20-11-15(7-8-19(20)25-2)16-12-21(24)23(14-16)18-6-4-5-17(22)13-18/h4-8,11,13,16H,3,9-10,12,14,22H2,1-2H3
InChIKeyRVSNEUXIYPBNEM-UHFFFAOYSA-N
XLogP3.21
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-4-[3-(3-chlorophenoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 11742216
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
(4R)-4-[4-amino-3-(2-amino-6-methylphenoxy)phenyl]-1-[3-(1-aminoethenyl)phenyl]pyrrolidin-2-one
CID 89146173
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
3-[4-(3-butoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide;3-[4-[3-(cyanomethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]benzamide;3-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]benzamide;3-[4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 160940604
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
CID 89146166
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958398
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
(4S)-1-(3-chlorophenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813586

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one (CID 10248588) is 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one is CCOCCOc1cc(C2CC(=O)N(c3cccc(N)c3)C2)ccc1OC.
What is the InChIKey of 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one?
The InChIKey is RVSNEUXIYPBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-9-10-27-20-11-15(7-8-19(20)25-2)16-12-21(24)23(14-16)18-6-4-5-17(22)13-18/h4-8,11,13,16H,3,9-10,12,14,22H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one?
1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 10248588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).