(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C19H20N2O3 — CID 92688907

IUPAC(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-13(21-12-15-7-3-4-9-17(15)19(21)23)18(22)20-11-14-6-5-8-16(10-14)24-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyABZAJRKRSFUTJU-CYBMUJFWSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds5

About (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 92688907) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID92688907
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-13(21-12-15-7-3-4-9-17(15)19(21)23)18(22)20-11-14-6-5-8-16(10-14)24-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyABZAJRKRSFUTJU-CYBMUJFWSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
N-[(3-methoxyphenyl)methyl]-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46278277
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 175744186
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 3-methoxybenzoate
CID 4602811
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 122278869
(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 31933904

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 92688907) is (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is COc1cccc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1.
What is the InChIKey of (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is ABZAJRKRSFUTJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(21-12-15-7-3-4-9-17(15)19(21)23)18(22)20-11-14-6-5-8-16(10-14)24-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 92688907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).