2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide

C23H29NO3 — CID 621407

IUPAC2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-18-7-11-21(12-8-18)26-16-15-24-23(25)17-27-22-13-9-20(10-14-22)19-5-3-2-4-6-19/h7-14,19H,2-6,15-17H2,1H3,(H,24,25)
InChIKeySJSOBQWXGAEENJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.62
Rot. Bonds8

About 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 621407) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID621407
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-18-7-11-21(12-8-18)26-16-15-24-23(25)17-27-22-13-9-20(10-14-22)19-5-3-2-4-6-19/h7-14,19H,2-6,15-17H2,1H3,(H,24,25)
InChIKeySJSOBQWXGAEENJ-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174747
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 621407) is 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)COc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is SJSOBQWXGAEENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18-7-11-21(12-8-18)26-16-15-24-23(25)17-27-22-13-9-20(10-14-22)19-5-3-2-4-6-19/h7-14,19H,2-6,15-17H2,1H3,(H,24,25).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 621407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).