N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

C21H28N2O3 — CID 71891376

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C21H28N2O3/c24-19-6-2-1-4-17(19)21(26)23-11-3-5-18(23)20(25)22-10-9-16-13-14-7-8-15(16)12-14/h1-2,4,6,14-16,18,24H,3,5,7-13H2,(H,22,25)
InChIKeyJFLTXSWMYKGDBL-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 71891376) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID71891376
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C21H28N2O3/c24-19-6-2-1-4-17(19)21(26)23-11-3-5-18(23)20(25)22-10-9-16-13-14-7-8-15(16)12-14/h1-2,4,6,14-16,18,24H,3,5,7-13H2,(H,22,25)
InChIKeyJFLTXSWMYKGDBL-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 134813227
N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 98365172
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609
(2S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 97013861
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 95303706
1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
CID 78898005
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 60592901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 71891376) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is O=C(NCCC1CC2CCC1C2)C1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is JFLTXSWMYKGDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19-6-2-1-4-17(19)21(26)23-11-3-5-18(23)20(25)22-10-9-16-13-14-7-8-15(16)12-14/h1-2,4,6,14-16,18,24H,3,5,7-13H2,(H,22,25).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71891376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).