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

C20H22N2O4 — CID 175744186

IUPAC3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(CO)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13(14-7-5-8-16(10-14)26-2)21-19(24)18(12-23)22-11-15-6-3-4-9-17(15)20(22)25/h3-10,13,18,23H,11-12H2,1-2H3,(H,21,24)/t13-,18?/m1/s1
InChIKeyPZJQKYMBFSUBCH-YJJYDOSJSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds6

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

3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 175744186) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID175744186
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(CO)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13(14-7-5-8-16(10-14)26-2)21-19(24)18(12-23)22-11-15-6-3-4-9-17(15)20(22)25/h3-10,13,18,23H,11-12H2,1-2H3,(H,21,24)/t13-,18?/m1/s1
InChIKeyPZJQKYMBFSUBCH-YJJYDOSJSA-N
XLogP1.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688907
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 131932528
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277871
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
(2R,3S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 99997019
(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 100906507

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 175744186) is 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is COc1cccc([C@@H](C)NC(=O)C(CO)N2Cc3ccccc3C2=O)c1.
What is the InChIKey of 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is PZJQKYMBFSUBCH-YJJYDOSJSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(14-7-5-8-16(10-14)26-2)21-19(24)18(12-23)22-11-15-6-3-4-9-17(15)20(22)25/h3-10,13,18,23H,11-12H2,1-2H3,(H,21,24)/t13-,18?/m1/s1.
What are the key properties of 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 175744186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).