1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 18886165

IUPAC1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(CC)CC)CC1=O
InChIInChI=1S/C17H24N2O3/c1-4-18(5-2)17(21)13-11-16(20)19(12-13)14-9-7-8-10-15(14)22-6-3/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyIXOIWFJZDYVSMO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 18886165) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID18886165
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(CC)CC)CC1=O
InChIInChI=1S/C17H24N2O3/c1-4-18(5-2)17(21)13-11-16(20)19(12-13)14-9-7-8-10-15(14)22-6-3/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyIXOIWFJZDYVSMO-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
2-[4-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603098
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266491
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (CID 18886165) is 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)N(CC)CC)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXOIWFJZDYVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-18(5-2)17(21)13-11-16(20)19(12-13)14-9-7-8-10-15(14)22-6-3/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18886165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).