2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C26H27N3O2 — CID 42796396

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C26H27N3O2/c1-20(13-14-21-8-3-2-4-9-21)29(17-22-10-7-15-27-16-22)25(30)19-28-18-23-11-5-6-12-24(23)26(28)31/h2-12,15-16,20H,13-14,17-19H2,1H3
InChIKeyRHLUEDPGWQJYQZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.09
Rot. Bonds8

About 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42796396) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42796396
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C26H27N3O2/c1-20(13-14-21-8-3-2-4-9-21)29(17-22-10-7-15-27-16-22)25(30)19-28-18-23-11-5-6-12-24(23)26(28)31/h2-12,15-16,20H,13-14,17-19H2,1H3
InChIKeyRHLUEDPGWQJYQZ-UHFFFAOYSA-N
XLogP4.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42789358
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
CID 5072389
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91784909
N-(1-adamantyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(thiadiazol-4-yl)acetamide
CID 3288439
N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
N-hydroxy-2-phenyl-N-(5-pyridin-3-ylpentan-2-yl)acetamide
CID 88615137
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
CID 119195409
3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 122572025
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-phenylacetamide
CID 2722613

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 42796396) is 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide is CC(CCc1ccccc1)N(Cc1cccnc1)C(=O)CN1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RHLUEDPGWQJYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-20(13-14-21-8-3-2-4-9-21)29(17-22-10-7-15-27-16-22)25(30)19-28-18-23-11-5-6-12-24(23)26(28)31/h2-12,15-16,20H,13-14,17-19H2,1H3.
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42796396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).