N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride

C18H27ClN2O2 — CID 119456286

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-3-10-22-17-8-4-13(5-9-17)18(21)20-16-11-14-6-7-15(12-16)19-14;/h4-5,8-9,14-16,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H
InChIKeySISBAQBKPBBPLT-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.30
Rot. Bonds6

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride (PubChem CID 119456286) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
PubChem CID119456286
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-3-10-22-17-8-4-13(5-9-17)18(21)20-16-11-14-6-7-15(12-16)19-14;/h4-5,8-9,14-16,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H
InChIKeySISBAQBKPBBPLT-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[butyl(ethyl)amino]benzamide;dihydrochloride
CID 119456002
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
CID 119459719
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119458632
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride (CID 119456286) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride is CCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride?
The InChIKey is SISBAQBKPBBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-2-3-10-22-17-8-4-13(5-9-17)18(21)20-16-11-14-6-7-15(12-16)19-14;/h4-5,8-9,14-16,19H,2-3,6-7,10-12H2,1H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride is sourced from PubChem (CID 119456286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).