2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C20H32N2O4 — CID 60609505

IUPAC2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-22(16-10-8-6-5-7-9-11-16)14-19(23)21-15-12-17(24-2)20(26-4)18(13-15)25-3/h12-13,16H,5-11,14H2,1-4H3,(H,21,23)
InChIKeyMWTQICDSBHMXJS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.70
Rot. Bonds7

About 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 60609505) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID60609505
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-22(16-10-8-6-5-7-9-11-16)14-19(23)21-15-12-17(24-2)20(26-4)18(13-15)25-3/h12-13,16H,5-11,14H2,1-4H3,(H,21,23)
InChIKeyMWTQICDSBHMXJS-UHFFFAOYSA-N
XLogP3.70
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 16576405
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60561238
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679

Frequently Asked Questions

What is the IUPAC name of 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 60609505) is 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C)C2CCCCCCC2)cc(OC)c1OC.
What is the InChIKey of 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MWTQICDSBHMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-22(16-10-8-6-5-7-9-11-16)14-19(23)21-15-12-17(24-2)20(26-4)18(13-15)25-3/h12-13,16H,5-11,14H2,1-4H3,(H,21,23).
What are the key properties of 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 60609505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).