2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H25N3O2 — CID 47020354

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25N3O2/c1-16(24-13-11-17-6-2-3-7-18(17)15-24)22(27)23-19-8-4-9-20(14-19)25-12-5-10-21(25)26/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)
InChIKeyMYLOGSVAALEXFI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.20
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 47020354) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID47020354
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25N3O2/c1-16(24-13-11-17-6-2-3-7-18(17)15-24)22(27)23-19-8-4-9-20(14-19)25-12-5-10-21(25)26/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)
InChIKeyMYLOGSVAALEXFI-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119919119
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 47020354) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is MYLOGSVAALEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(24-13-11-17-6-2-3-7-18(17)15-24)22(27)23-19-8-4-9-20(14-19)25-12-5-10-21(25)26/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 47020354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).