2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride

C19H28ClN3O2 — CID 119704664

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12(2)20-19(24)16-5-3-4-6-17(16)22-18(23)11-13-9-14-7-8-15(10-13)21-14;/h3-6,12-15,21H,7-11H2,1-2H3,(H,20,24)(H,22,23);1H
InChIKeyTUMLNUBUBRIVGH-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.11
Rot. Bonds5

About 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119704664) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119704664
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12(2)20-19(24)16-5-3-4-6-17(16)22-18(23)11-13-9-14-7-8-15(10-13)21-14;/h3-6,12-15,21H,7-11H2,1-2H3,(H,20,24)(H,22,23);1H
InChIKeyTUMLNUBUBRIVGH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride with MolForge

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119685001
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-(1-phenylethoxy)phenyl]acetamide;hydrochloride
CID 119792508
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
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-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
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 119703964
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
CID 119810549
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride (CID 119704664) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1ccccc1NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is TUMLNUBUBRIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-12(2)20-19(24)16-5-3-4-6-17(16)22-18(23)11-13-9-14-7-8-15(10-13)21-14;/h3-6,12-15,21H,7-11H2,1-2H3,(H,20,24)(H,22,23);1H.
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119704664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).