N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C19H28N2O4 — CID 119456262

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC2CC3CCC(C2)N3)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-8-12(9-17(24-2)19(16)25-3)4-7-18(22)21-15-10-13-5-6-14(11-15)20-13/h8-9,13-15,20H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyLFNNNHOZYGIXQE-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.04
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 119456262) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID119456262
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC2CC3CCC(C2)N3)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-8-12(9-17(24-2)19(16)25-3)4-7-18(22)21-15-10-13-5-6-14(11-15)20-13/h8-9,13-15,20H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyLFNNNHOZYGIXQE-UHFFFAOYSA-N
XLogP2.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 119456262) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC2CC3CCC(C2)N3)cc(OC)c1OC.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is LFNNNHOZYGIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-16-8-12(9-17(24-2)19(16)25-3)4-7-18(22)21-15-10-13-5-6-14(11-15)20-13/h8-9,13-15,20H,4-7,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 348.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 119456262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).