2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride

C19H28Cl2N2O2 — CID 119739734

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-22(8-3-9-24-18-5-2-4-15(20)13-18)19(23)12-14-10-16-6-7-17(11-14)21-16;/h2,4-5,13-14,16-17,21H,3,6-12H2,1H3;1H
InChIKeyARMSGMFEGBUIAL-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.91
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride (PubChem CID 119739734) 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-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
PubChem CID119739734
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-22(8-3-9-24-18-5-2-4-15(20)13-18)19(23)12-14-10-16-6-7-17(11-14)21-16;/h2,4-5,13-14,16-17,21H,3,6-12H2,1H3;1H
InChIKeyARMSGMFEGBUIAL-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820820
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide
CID 166613961
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride (CID 119739734) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride is CN(CCCOc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride?
The InChIKey is ARMSGMFEGBUIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2.ClH/c1-22(8-3-9-24-18-5-2-4-15(20)13-18)19(23)12-14-10-16-6-7-17(11-14)21-16;/h2,4-5,13-14,16-17,21H,3,6-12H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride has a molecular weight of 387.35 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 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-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119739734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).