N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide

C23H29NO2 — CID 26163422

IUPACN-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-18-7-5-6-10-20(18)17-23(25)24-21-11-13-22(14-12-21)26-16-15-19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9,15-17H2,1H3,(H,24,25)
InChIKeyQBCFOWHETLSWDF-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.53
Rot. Bonds7

About N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide

N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 26163422) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
PubChem CID26163422
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-18-7-5-6-10-20(18)17-23(25)24-21-11-13-22(14-12-21)26-16-15-19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9,15-17H2,1H3,(H,24,25)
InChIKeyQBCFOWHETLSWDF-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide (CID 26163422) is N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is QBCFOWHETLSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18-7-5-6-10-20(18)17-23(25)24-21-11-13-22(14-12-21)26-16-15-19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9,15-17H2,1H3,(H,24,25).
What are the key properties of N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide?
N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 26163422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).