2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide

C20H27N3O — CID 119754604

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CC3CC4CCC(C3)N4)cc2c1C
InChIInChI=1S/C20H27N3O/c1-12-13(2)22-19-6-3-14(9-18(12)19)11-21-20(24)10-15-7-16-4-5-17(8-15)23-16/h3,6,9,15-17,22-23H,4-5,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyVDOHYJNPVYVGPJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.32
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 119754604) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
PubChem CID119754604
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CC3CC4CCC(C3)N4)cc2c1C
InChIInChI=1S/C20H27N3O/c1-12-13(2)22-19-6-3-14(9-18(12)19)11-21-20(24)10-15-7-16-4-5-17(8-15)23-16/h3,6,9,15-17,22-23H,4-5,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyVDOHYJNPVYVGPJ-UHFFFAOYSA-N
XLogP3.32
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 119684803
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide;hydrochloride
CID 119756187
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987588
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide (CID 119754604) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide is Cc1[nH]c2ccc(CNC(=O)CC3CC4CCC(C3)N4)cc2c1C.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is VDOHYJNPVYVGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-12-13(2)22-19-6-3-14(9-18(12)19)11-21-20(24)10-15-7-16-4-5-17(8-15)23-16/h3,6,9,15-17,22-23H,4-5,7-8,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 119754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).