2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide

C21H30N2O3 — CID 119793699

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C21H30N2O3/c24-21(13-16-11-18-1-2-19(12-16)22-18)23-17-3-5-20(6-4-17)26-14-15-7-9-25-10-8-15/h3-6,15-16,18-19,22H,1-2,7-14H2,(H,23,24)
InChIKeyFSQNZKHZAYCDQB-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.35
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide (PubChem CID 119793699) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
PubChem CID119793699
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C21H30N2O3/c24-21(13-16-11-18-1-2-19(12-16)22-18)23-17-3-5-20(6-4-17)26-14-15-7-9-25-10-8-15/h3-6,15-16,18-19,22H,1-2,7-14H2,(H,23,24)
InChIKeyFSQNZKHZAYCDQB-UHFFFAOYSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
CID 119733587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 119841224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119712383
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
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-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
CID 119864125

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide (CID 119793699) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide?
The InChIKey is FSQNZKHZAYCDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-21(13-16-11-18-1-2-19(12-16)22-18)23-17-3-5-20(6-4-17)26-14-15-7-9-25-10-8-15/h3-6,15-16,18-19,22H,1-2,7-14H2,(H,23,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide has a molecular weight of 358.48 g/mol, XLogP of 3.35, 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-(oxan-4-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 119793699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).