N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C18H24N2O4 — CID 60592214

IUPACN-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2(C#N)CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4/c1-22-14-9-13(10-15(23-2)17(14)24-3)11-16(21)20-18(12-19)7-5-4-6-8-18/h9-10H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyIICIFJSDXGDEMU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.60
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 60592214) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID60592214
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2(C#N)CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4/c1-22-14-9-13(10-15(23-2)17(14)24-3)11-16(21)20-18(12-19)7-5-4-6-8-18/h9-10H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyIICIFJSDXGDEMU-UHFFFAOYSA-N
XLogP2.60
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 7757654
N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127803
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18081197
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524295
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 9136887
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071571
N-(1-cyanocyclohexyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 18078815

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 60592214) is N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2(C#N)CCCCC2)cc(OC)c1OC.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IICIFJSDXGDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-22-14-9-13(10-15(23-2)17(14)24-3)11-16(21)20-18(12-19)7-5-4-6-8-18/h9-10H,4-8,11H2,1-3H3,(H,20,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 60592214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).