N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H26N2O3 — CID 46109790

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NC3CC4CCC3C4)CC2=O)cc1
InChIInChI=1S/C20H26N2O3/c1-2-25-17-7-5-16(6-8-17)22-12-15(11-19(22)23)20(24)21-18-10-13-3-4-14(18)9-13/h5-8,13-15,18H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyMKTNRWBZUUNQEW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.74
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109790) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46109790
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NC3CC4CCC3C4)CC2=O)cc1
InChIInChI=1S/C20H26N2O3/c1-2-25-17-7-5-16(6-8-17)22-12-15(11-19(22)23)20(24)21-18-10-13-3-4-14(18)9-13/h5-8,13-15,18H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyMKTNRWBZUUNQEW-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18193053
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95132752
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7858709
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46109790) is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)NC3CC4CCC3C4)CC2=O)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MKTNRWBZUUNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-25-17-7-5-16(6-8-17)22-12-15(11-19(22)23)20(24)21-18-10-13-3-4-14(18)9-13/h5-8,13-15,18H,2-4,9-12H2,1H3,(H,21,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).