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

C18H27ClN2O — CID 119457019

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)7-10-18(21)20-17-11-15-8-9-16(12-17)19-15;/h3-6,15-17,19H,2,7-12H2,1H3,(H,20,21);1H
InChIKeyKJWJXKGUJXOTIN-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.00
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride (PubChem CID 119457019) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
PubChem CID119457019
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)7-10-18(21)20-17-11-15-8-9-16(12-17)19-15;/h3-6,15-17,19H,2,7-12H2,1H3,(H,20,21);1H
InChIKeyKJWJXKGUJXOTIN-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3-(4-ethylphenyl)propanamide
CID 110600975
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119458332
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride (CID 119457019) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride is CCc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride?
The InChIKey is KJWJXKGUJXOTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)7-10-18(21)20-17-11-15-8-9-16(12-17)19-15;/h3-6,15-17,19H,2,7-12H2,1H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119457019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).