3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide

C26H34N2O4 — CID 98119704

IUPAC3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)cc(OC)c1OC
InChIInChI=1S/C26H34N2O4/c1-27-20-10-11-21(27)17-22(16-20)28(13-12-18-8-6-5-7-9-18)26(29)19-14-23(30-2)25(32-4)24(15-19)31-3/h5-9,14-15,20-22H,10-13,16-17H2,1-4H3/t20-,21-/m1/s1
InChIKeyPZFGOFAYGPTKJY-NHCUHLMSSA-N
MW438.57 g/mol
LogP4.02
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide

3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide (PubChem CID 98119704) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
PubChem CID98119704
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)cc(OC)c1OC
InChIInChI=1S/C26H34N2O4/c1-27-20-10-11-21(27)17-22(16-20)28(13-12-18-8-6-5-7-9-18)26(29)19-14-23(30-2)25(32-4)24(15-19)31-3/h5-9,14-15,20-22H,10-13,16-17H2,1-4H3/t20-,21-/m1/s1
InChIKeyPZFGOFAYGPTKJY-NHCUHLMSSA-N
XLogP4.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide with MolForge

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Related Compounds

3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 2056963
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 24835778
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095973
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
2-[ethyl(2-phenylethyl)amino]ethanol;3,4,5-trimethoxybenzoic acid
CID 21152650
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
CID 18593889

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide (CID 98119704) is 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide is COc1cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is PZFGOFAYGPTKJY-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-27-20-10-11-21(27)17-22(16-20)28(13-12-18-8-6-5-7-9-18)26(29)19-14-23(30-2)25(32-4)24(15-19)31-3/h5-9,14-15,20-22H,10-13,16-17H2,1-4H3/t20-,21-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 98119704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).