2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride

C19H28Cl2N2O2 — CID 119748089

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-13-9-15(20)3-6-18(13)24-8-2-7-21-19(23)12-14-10-16-4-5-17(11-14)22-16;/h3,6,9,14,16-17,22H,2,4-5,7-8,10-12H2,1H3,(H,21,23);1H
InChIKeyFZTYKDDCLDPFKX-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.88
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride (PubChem CID 119748089) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
PubChem CID119748089
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-13-9-15(20)3-6-18(13)24-8-2-7-21-19(23)12-14-10-16-4-5-17(11-14)22-16;/h3,6,9,14,16-17,22H,2,4-5,7-8,10-12H2,1H3,(H,21,23);1H
InChIKeyFZTYKDDCLDPFKX-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.88
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

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 119754660
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
CID 119754502
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
CID 119746386

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride (CID 119748089) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride is Cc1cc(Cl)ccc1OCCCNC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride?
The InChIKey is FZTYKDDCLDPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2.ClH/c1-13-9-15(20)3-6-18(13)24-8-2-7-21-19(23)12-14-10-16-4-5-17(11-14)22-16;/h3,6,9,14,16-17,22H,2,4-5,7-8,10-12H2,1H3,(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride has a molecular weight of 387.35 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119748089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).