2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide

C19H28N2O2 — CID 124693226

IUPAC2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H28N2O2/c1-14-5-2-3-6-18(14)23-10-4-9-20-19(22)13-15-11-16-7-8-17(12-15)21-16/h2-3,5-6,15-17,21H,4,7-13H2,1H3,(H,20,22)/t15?,16-,17+
InChIKeySHDAABPNBVGHQM-ALOPSCKCSA-N
MW316.44 g/mol
LogP2.80
Rot. Bonds7

About 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide (PubChem CID 124693226) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
PubChem CID124693226
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H28N2O2/c1-14-5-2-3-6-18(14)23-10-4-9-20-19(22)13-15-11-16-7-8-17(12-15)21-16/h2-3,5-6,15-17,21H,4,7-13H2,1H3,(H,20,22)/t15?,16-,17+
InChIKeySHDAABPNBVGHQM-ALOPSCKCSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]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-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119748089
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
CID 124591619
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide;dihydrochloride
CID 119888049

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide (CID 124693226) is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide is Cc1ccccc1OCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide?
The InChIKey is SHDAABPNBVGHQM-ALOPSCKCSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-5-2-3-6-18(14)23-10-4-9-20-19(22)13-15-11-16-7-8-17(12-15)21-16/h2-3,5-6,15-17,21H,4,7-13H2,1H3,(H,20,22)/t15?,16-,17+.
What are the key properties of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide?
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 124693226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).