2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride

C19H29ClN2O — CID 119766335

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(Cc1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-16(10-14-6-4-3-5-7-14)21-19(22)13-15-11-17-8-9-18(12-15)20-17;/h3-7,15-18,20H,2,8-13H2,1H3,(H,21,22);1H
InChIKeyBYIYBSZSGOXIPS-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.47
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119766335) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
PubChem CID119766335
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(Cc1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-16(10-14-6-4-3-5-7-14)21-19(22)13-15-11-17-8-9-18(12-15)20-17;/h3-7,15-18,20H,2,8-13H2,1H3,(H,21,22);1H
InChIKeyBYIYBSZSGOXIPS-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(3-ethoxycyclobutyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107861181
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
CID 119740648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 119744636

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride (CID 119766335) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride is CCC(Cc1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is BYIYBSZSGOXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-16(10-14-6-4-3-5-7-14)21-19(22)13-15-11-17-8-9-18(12-15)20-17;/h3-7,15-18,20H,2,8-13H2,1H3,(H,21,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 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-(1-phenylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119766335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).