2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide

C22H33N3O — CID 119872419

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1
InChIInChI=1S/C22H33N3O/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26)
InChIKeyREVRIPSJCUHGCX-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.91
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide (PubChem CID 119872419) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
PubChem CID119872419
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1
InChIInChI=1S/C22H33N3O/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26)
InChIKeyREVRIPSJCUHGCX-UHFFFAOYSA-N
XLogP3.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride
CID 119872418
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119872427
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 119872395
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
3-(2-aminophenyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]propanamide;dihydrochloride
CID 120612872
4-(aminomethyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]benzamide
CID 119872415
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 119901048
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide (CID 119872419) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide is CC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide?
The InChIKey is REVRIPSJCUHGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide has a molecular weight of 355.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide is sourced from PubChem (CID 119872419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).