2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

C23H29ClN2O3 — CID 979520

IUPAC2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(CNCc2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H29ClN2O3/c1-28-22-13-17(14-25-15-18-7-5-6-10-20(18)24)11-12-21(22)29-16-23(27)26-19-8-3-2-4-9-19/h5-7,10-13,19,25H,2-4,8-9,14-16H2,1H3,(H,26,27)
InChIKeyZWLMFWRHCAPDOF-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.47
Rot. Bonds9

About 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 979520) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
PubChem CID979520
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(CNCc2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H29ClN2O3/c1-28-22-13-17(14-25-15-18-7-5-6-10-20(18)24)11-12-21(22)29-16-23(27)26-19-8-3-2-4-9-19/h5-7,10-13,19,25H,2-4,8-9,14-16H2,1H3,(H,26,27)
InChIKeyZWLMFWRHCAPDOF-UHFFFAOYSA-N
XLogP4.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (CID 979520) is 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is COc1cc(CNCc2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is ZWLMFWRHCAPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-28-22-13-17(14-25-15-18-7-5-6-10-20(18)24)11-12-21(22)29-16-23(27)26-19-8-3-2-4-9-19/h5-7,10-13,19,25H,2-4,8-9,14-16H2,1H3,(H,26,27).
What are the key properties of 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 416.95 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 979520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).