2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide

C18H26N2O2 — CID 119734644

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
SMILESCC(CNC(=O)CC1CC2CCC(C1)N2)Oc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-13(22-17-5-3-2-4-6-17)12-19-18(21)11-14-9-15-7-8-16(10-14)20-15/h2-6,13-16,20H,7-12H2,1H3,(H,19,21)
InChIKeyYFPBWRPKDBGTCY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide (PubChem CID 119734644) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
PubChem CID119734644
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
SMILESCC(CNC(=O)CC1CC2CCC(C1)N2)Oc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-13(22-17-5-3-2-4-6-17)12-19-18(21)11-14-9-15-7-8-16(10-14)20-15/h2-6,13-16,20H,7-12H2,1H3,(H,19,21)
InChIKeyYFPBWRPKDBGTCY-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide (CID 119734644) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide is CC(CNC(=O)CC1CC2CCC(C1)N2)Oc1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide?
The InChIKey is YFPBWRPKDBGTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(22-17-5-3-2-4-6-17)12-19-18(21)11-14-9-15-7-8-16(10-14)20-15/h2-6,13-16,20H,7-12H2,1H3,(H,19,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.49, 6 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-phenoxypropyl)acetamide is sourced from PubChem (CID 119734644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).