5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C17H26N2O2 — CID 45188866

IUPAC5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-18-12-11-15-7-10-17(20)19(15)13(2)14-5-8-16(21-3)9-6-14/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3/t13-,15?/m1/s1
InChIKeyACXQHNFDJRIACK-AFYYWNPRSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds7

About 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 45188866) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID45188866
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-18-12-11-15-7-10-17(20)19(15)13(2)14-5-8-16(21-3)9-6-14/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3/t13-,15?/m1/s1
InChIKeyACXQHNFDJRIACK-AFYYWNPRSA-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

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-propan-2-ylpyrrolidin-2-one
CID 26348735
methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
CID 70631589
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 125163192
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 45182199
4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123475689
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 66243258

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 45188866) is 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is CCNCCC1CCC(=O)N1[C@H](C)c1ccc(OC)cc1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is ACXQHNFDJRIACK-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-12-11-15-7-10-17(20)19(15)13(2)14-5-8-16(21-3)9-6-14/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3/t13-,15?/m1/s1.
What are the key properties of 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]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 5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45188866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).