N-cyclooctyl-2,4,5-trimethoxybenzamide

C18H27NO4 — CID 912719

IUPACN-cyclooctyl-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC2CCCCCCC2)cc1OC
InChIInChI=1S/C18H27NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyHQNJTFYZMDPMSD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.56
Rot. Bonds5

About N-cyclooctyl-2,4,5-trimethoxybenzamide

N-cyclooctyl-2,4,5-trimethoxybenzamide (PubChem CID 912719) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclooctyl-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclooctyl-2,4,5-trimethoxybenzamide
PubChem CID912719
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-cyclooctyl-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC2CCCCCCC2)cc1OC
InChIInChI=1S/C18H27NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyHQNJTFYZMDPMSD-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-2,4,5-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

N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118762504
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclooctyl-2,4,5-trimethoxybenzamide (CID 912719) is N-cyclooctyl-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclooctyl-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclooctyl-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NC2CCCCCCC2)cc1OC.
What is the InChIKey of N-cyclooctyl-2,4,5-trimethoxybenzamide?
The InChIKey is HQNJTFYZMDPMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-cyclooctyl-2,4,5-trimethoxybenzamide?
N-cyclooctyl-2,4,5-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-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 912719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).