1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C22H32N2O4 — CID 122176507

IUPAC1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1OCC
InChIInChI=1S/C22H32N2O4/c1-3-27-19-11-9-16(15-20(19)28-4-2)13-14-23-22(26)18-10-12-21(25)24(18)17-7-5-6-8-17/h9,11,15,17-18H,3-8,10,12-14H2,1-2H3,(H,23,26)
InChIKeyPVWQWYHANUBMDC-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.08
Rot. Bonds9

About 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 122176507) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID122176507
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1OCC
InChIInChI=1S/C22H32N2O4/c1-3-27-19-11-9-16(15-20(19)28-4-2)13-14-23-22(26)18-10-12-21(25)24(18)17-7-5-6-8-17/h9,11,15,17-18H,3-8,10,12-14H2,1-2H3,(H,23,26)
InChIKeyPVWQWYHANUBMDC-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 40911259
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 139023926
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32560217
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119677375

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 122176507) is 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is CCOc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1OCC.
What is the InChIKey of 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PVWQWYHANUBMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-3-27-19-11-9-16(15-20(19)28-4-2)13-14-23-22(26)18-10-12-21(25)24(18)17-7-5-6-8-17/h9,11,15,17-18H,3-8,10,12-14H2,1-2H3,(H,23,26).
What are the key properties of 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 122176507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).