N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide

C21H25NO2 — CID 720119

IUPACN-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)24-15-21(23)22-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,22,23)
InChIKeyVGMPHWJTRJQVEX-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.49
Rot. Bonds5

About N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide

N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide (PubChem CID 720119) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
PubChem CID720119
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)24-15-21(23)22-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,22,23)
InChIKeyVGMPHWJTRJQVEX-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide (CID 720119) is N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide is Cc1ccc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide?
The InChIKey is VGMPHWJTRJQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)24-15-21(23)22-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,22,23).
What are the key properties of N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide?
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide is sourced from PubChem (CID 720119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).