2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

C20H30N2O3 — CID 119777156

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(C)NC(=O)CC2CC3CCC(C2)N3)cc1OC
InChIInChI=1S/C20H30N2O3/c1-13(8-14-4-7-18(24-2)19(11-14)25-3)21-20(23)12-15-9-16-5-6-17(10-15)22-16/h4,7,11,13,15-17,22H,5-6,8-10,12H2,1-3H3,(H,21,23)
InChIKeyFHSOWMRUTIWLNL-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.67
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (PubChem CID 119777156) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
PubChem CID119777156
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(C)NC(=O)CC2CC3CCC(C2)N3)cc1OC
InChIInChI=1S/C20H30N2O3/c1-13(8-14-4-7-18(24-2)19(11-14)25-3)21-20(23)12-15-9-16-5-6-17(10-15)22-16/h4,7,11,13,15-17,22H,5-6,8-10,12H2,1-3H3,(H,21,23)
InChIKeyFHSOWMRUTIWLNL-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]acetamide
CID 119814233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
CID 119740648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 119754660
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119695137
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119816788

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (CID 119777156) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is COc1ccc(CC(C)NC(=O)CC2CC3CCC(C2)N3)cc1OC.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The InChIKey is FHSOWMRUTIWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(8-14-4-7-18(24-2)19(11-14)25-3)21-20(23)12-15-9-16-5-6-17(10-15)22-16/h4,7,11,13,15-17,22H,5-6,8-10,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.67, 7 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-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119777156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).