N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide

C17H24N2O4 — CID 119457461

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCC(C2)N3)c(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-7-6-13(15(22-2)16(14)23-3)17(20)19-12-8-10-4-5-11(9-12)18-10/h6-7,10-12,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyBRJRIWFWUMZSQH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.73
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide (PubChem CID 119457461) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
PubChem CID119457461
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCC(C2)N3)c(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-7-6-13(15(22-2)16(14)23-3)17(20)19-12-8-10-4-5-11(9-12)18-10/h6-7,10-12,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyBRJRIWFWUMZSQH-UHFFFAOYSA-N
XLogP1.73
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
methyl 5-[(2,3,4-trimethoxybenzoyl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate
CID 85497368
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide (CID 119457461) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC2CC3CCC(C2)N3)c(OC)c1OC.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide?
The InChIKey is BRJRIWFWUMZSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-14-7-6-13(15(22-2)16(14)23-3)17(20)19-12-8-10-4-5-11(9-12)18-10/h6-7,10-12,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.73, 5 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)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 119457461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).