2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride

C19H28ClN3O2 — CID 119684592

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-4-3-5-13(2)19(12)22-18(24)11-20-17(23)10-14-8-15-6-7-16(9-14)21-15;/h3-5,14-16,21H,6-11H2,1-2H3,(H,20,23)(H,22,24);1H
InChIKeyXNDLOIGOGBNYEH-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.70
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119684592) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
PubChem CID119684592
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-4-3-5-13(2)19(12)22-18(24)11-20-17(23)10-14-8-15-6-7-16(9-14)21-15;/h3-5,14-16,21H,6-11H2,1-2H3,(H,20,23)(H,22,24);1H
InChIKeyXNDLOIGOGBNYEH-UHFFFAOYSA-N
XLogP2.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756888
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 119871387
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-chloro-4-methyl-3-pyridinyl)acetamide
CID 79614972
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride (CID 119684592) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride is Cc1cccc(C)c1NC(=O)CNC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is XNDLOIGOGBNYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-12-4-3-5-13(2)19(12)22-18(24)11-20-17(23)10-14-8-15-6-7-16(9-14)21-15;/h3-5,14-16,21H,6-11H2,1-2H3,(H,20,23)(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 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-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119684592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).