N-cyclooctyl-3,4,5-trimethoxybenzamide

C18H27NO4 — CID 679003

IUPACN-cyclooctyl-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)19-14-9-7-5-4-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,19,20)
InChIKeyNUFZQANTKYVCON-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.56
Rot. Bonds5

About N-cyclooctyl-3,4,5-trimethoxybenzamide

N-cyclooctyl-3,4,5-trimethoxybenzamide (PubChem CID 679003) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclooctyl-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclooctyl-3,4,5-trimethoxybenzamide
PubChem CID679003
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-cyclooctyl-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)19-14-9-7-5-4-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,19,20)
InChIKeyNUFZQANTKYVCON-UHFFFAOYSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-3,4,5-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

1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclooctyl-3,4,5-trimethoxybenzamide (CID 679003) is N-cyclooctyl-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclooctyl-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclooctyl-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1OC.
What is the InChIKey of N-cyclooctyl-3,4,5-trimethoxybenzamide?
The InChIKey is NUFZQANTKYVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)19-14-9-7-5-4-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-cyclooctyl-3,4,5-trimethoxybenzamide?
N-cyclooctyl-3,4,5-trimethoxybenzamide has a molecular weight of 321.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 679003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).