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

C20H32N2O4 — CID 8559125

IUPAC2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CNC2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-24-17-11-15(12-18(25-2)20(17)26-3)13-22-19(23)14-21-16-9-7-5-4-6-8-10-16/h11-12,16,21H,4-10,13-14H2,1-3H3,(H,22,23)
InChIKeyCGNLNNYMUNSJBW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.03
Rot. Bonds8

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

2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 8559125) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID8559125
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CNC2CCCCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-24-17-11-15(12-18(25-2)20(17)26-3)13-22-19(23)14-21-16-9-7-5-4-6-8-10-16/h11-12,16,21H,4-10,13-14H2,1-3H3,(H,22,23)
InChIKeyCGNLNNYMUNSJBW-UHFFFAOYSA-N
XLogP3.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
1-cyclohexyl-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110958176
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
2-(azocan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8680151
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 8559125) is 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CNC2CCCCCCC2)cc(OC)c1OC.
What is the InChIKey of 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is CGNLNNYMUNSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-24-17-11-15(12-18(25-2)20(17)26-3)13-22-19(23)14-21-16-9-7-5-4-6-8-10-16/h11-12,16,21H,4-10,13-14H2,1-3H3,(H,22,23).
What are the key properties of 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8559125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).