(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide

C24H27N3O3 — CID 92886577

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
SMILESO=C(NCCCN1CCCC1=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H27N3O3/c28-22-12-6-14-26(22)15-7-13-25-23(29)21(16-18-8-2-1-3-9-18)27-17-19-10-4-5-11-20(19)24(27)30/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)/t21-/m1/s1
InChIKeyFNKUHNCMDYNKDM-OAQYLSRUSA-N
MW405.50 g/mol
LogP2.38
Rot. Bonds8

About (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide

(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide (PubChem CID 92886577) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
PubChem CID92886577
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
SMILESO=C(NCCCN1CCCC1=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H27N3O3/c28-22-12-6-14-26(22)15-7-13-25-23(29)21(16-18-8-2-1-3-9-18)27-17-19-10-4-5-11-20(19)24(27)30/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)/t21-/m1/s1
InChIKeyFNKUHNCMDYNKDM-OAQYLSRUSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(2R)-3-benzylsulfanyl-N-butyl-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 15945499
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N-[2-(4-benzylpiperidin-1-yl)ethyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 20905878
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide (CID 92886577) is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide is O=C(NCCCN1CCCC1=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide?
The InChIKey is FNKUHNCMDYNKDM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22-12-6-14-26(22)15-7-13-25-23(29)21(16-18-8-2-1-3-9-18)27-17-19-10-4-5-11-20(19)24(27)30/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)/t21-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide?
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide has a molecular weight of 405.50 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 92886577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).