2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide

C18H26N2O3 — CID 119688395

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1OC
InChIInChI=1S/C18H26N2O3/c1-3-23-16-7-6-15(11-17(16)22-2)20-18(21)10-12-8-13-4-5-14(9-12)19-13/h6-7,11-14,19H,3-5,8-10H2,1-2H3,(H,20,21)
InChIKeyZHZKIKAOALRUSS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.95
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide (PubChem CID 119688395) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
PubChem CID119688395
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1OC
InChIInChI=1S/C18H26N2O3/c1-3-23-16-7-6-15(11-17(16)22-2)20-18(21)10-12-8-13-4-5-14(9-12)19-13/h6-7,11-14,19H,3-5,8-10H2,1-2H3,(H,20,21)
InChIKeyZHZKIKAOALRUSS-UHFFFAOYSA-N
XLogP2.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
2-(azetidin-3-yl)-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 64617201
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 119718548
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide (CID 119688395) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide is CCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1OC.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The InChIKey is ZHZKIKAOALRUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-16-7-6-15(11-17(16)22-2)20-18(21)10-12-8-13-4-5-14(9-12)19-13/h6-7,11-14,19H,3-5,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 119688395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).