2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride

C23H29ClN2O2 — CID 119810549

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
SMILESCc1c(COc2ccccc2)cccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-16-18(15-27-21-7-3-2-4-8-21)6-5-9-22(16)25-23(26)14-17-12-19-10-11-20(13-17)24-19;/h2-9,17,19-20,24H,10-15H2,1H3,(H,25,26);1H
InChIKeyZKJGPMQESIRINN-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.86
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 119810549) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
PubChem CID119810549
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
SMILESCc1c(COc2ccccc2)cccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-16-18(15-27-21-7-3-2-4-8-21)6-5-9-22(16)25-23(26)14-17-12-19-10-11-20(13-17)24-19;/h2-9,17,19-20,24H,10-15H2,1H3,(H,25,26);1H
InChIKeyZKJGPMQESIRINN-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
CID 119792508
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride (CID 119810549) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride is Cc1c(COc2ccccc2)cccc1NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is ZKJGPMQESIRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c1-16-18(15-27-21-7-3-2-4-8-21)6-5-9-22(16)25-23(26)14-17-12-19-10-11-20(13-17)24-19;/h2-9,17,19-20,24H,10-15H2,1H3,(H,25,26);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 4.86, 6 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-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119810549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).