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

C19H29ClN2O2 — CID 119457887

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-11-23-18-8-3-14(4-9-18)5-10-19(22)21-17-12-15-6-7-16(13-17)20-15;/h3-4,8-9,15-17,20H,2,5-7,10-13H2,1H3,(H,21,22);1H
InChIKeyRUZNDEKJJNXQHY-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.23
Rot. Bonds7

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride (PubChem CID 119457887) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
PubChem CID119457887
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-11-23-18-8-3-14(4-9-18)5-10-19(22)21-17-12-15-6-7-16(13-17)20-15;/h3-4,8-9,15-17,20H,2,5-7,10-13H2,1H3,(H,21,22);1H
InChIKeyRUZNDEKJJNXQHY-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
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CID 119427303
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-butoxybenzamide;hydrochloride
CID 119456286
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride (CID 119457887) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride is CCCOc1ccc(CCC(=O)NC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is RUZNDEKJJNXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-2-11-23-18-8-3-14(4-9-18)5-10-19(22)21-17-12-15-6-7-16(13-17)20-15;/h3-4,8-9,15-17,20H,2,5-7,10-13H2,1H3,(H,21,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.23, 7 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)-3-(4-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119457887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).