2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide

C22H33N3O — CID 119867943

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(15-18-13-20-9-10-21(14-18)23-20)24-19-7-5-17(6-8-19)16-25-11-3-1-2-4-12-25/h5-8,18,20-21,23H,1-4,9-16H2,(H,24,26)
InChIKeyIRJLMWMDDVPSAJ-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.92
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide (PubChem CID 119867943) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
PubChem CID119867943
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(15-18-13-20-9-10-21(14-18)23-20)24-19-7-5-17(6-8-19)16-25-11-3-1-2-4-12-25/h5-8,18,20-21,23H,1-4,9-16H2,(H,24,26)
InChIKeyIRJLMWMDDVPSAJ-UHFFFAOYSA-N
XLogP3.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide 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-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
CID 119883358
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 119829292
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide (CID 119867943) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide?
The InChIKey is IRJLMWMDDVPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(15-18-13-20-9-10-21(14-18)23-20)24-19-7-5-17(6-8-19)16-25-11-3-1-2-4-12-25/h5-8,18,20-21,23H,1-4,9-16H2,(H,24,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide has a molecular weight of 355.53 g/mol, XLogP of 3.92, 5 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-[4-(azepan-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 119867943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).