2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride

C21H30ClN3O2 — CID 119759904

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-10-16(21(26)24-8-2-3-9-24)4-7-19(14)23-20(25)13-15-11-17-5-6-18(12-15)22-17;/h4,7,10,15,17-18,22H,2-3,5-6,8-9,11-13H2,1H3,(H,23,25);1H
InChIKeyHDVTUFHKWBREBI-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.51
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119759904) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119759904
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-10-16(21(26)24-8-2-3-9-24)4-7-19(14)23-20(25)13-15-11-17-5-6-18(12-15)22-17;/h4,7,10,15,17-18,22H,2-3,5-6,8-9,11-13H2,1H3,(H,23,25);1H
InChIKeyHDVTUFHKWBREBI-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)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-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119685001
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119712383
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
CID 119858239
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-butoxy-2-methylphenyl)acetamide
CID 119739420
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 154915135
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide;dihydrochloride
CID 119895283

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride (CID 119759904) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is HDVTUFHKWBREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-14-10-16(21(26)24-8-2-3-9-24)4-7-19(14)23-20(25)13-15-11-17-5-6-18(12-15)22-17;/h4,7,10,15,17-18,22H,2-3,5-6,8-9,11-13H2,1H3,(H,23,25);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.51, 4 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-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119759904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).