1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one

C17H26N2O2 — CID 60936415

IUPAC1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(C)NC(C)CN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)14(3)18-13(2)12-19-11-5-6-17(19)20/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyFSFLMENHHLMUNF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 60936415) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID60936415
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(C)NC(C)CN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)14(3)18-13(2)12-19-11-5-6-17(19)20/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyFSFLMENHHLMUNF-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 102976460
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115722060
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one (CID 60936415) is 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one is CCOc1ccc(C(C)NC(C)CN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is FSFLMENHHLMUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)14(3)18-13(2)12-19-11-5-6-17(19)20/h7-10,13-14,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60936415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).