cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

C24H29NO4 — CID 2788654

IUPACcyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)18-10-14-21(15-11-18)28-16-23(26)25-20-12-8-19(9-13-20)24(27)29-22-6-4-3-5-7-22/h8-15,17,22H,3-7,16H2,1-2H3,(H,25,26)
InChIKeyGBXRTKCMLDTEPF-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.32
Rot. Bonds7

About cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 2788654) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID2788654
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namecyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)18-10-14-21(15-11-18)28-16-23(26)25-20-12-8-19(9-13-20)24(27)29-22-6-4-3-5-7-22/h8-15,17,22H,3-7,16H2,1-2H3,(H,25,26)
InChIKeyGBXRTKCMLDTEPF-UHFFFAOYSA-N
XLogP5.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2223888
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237132
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 2788654) is cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is GBXRTKCMLDTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-17(2)18-10-14-21(15-11-18)28-16-23(26)25-20-12-8-19(9-13-20)24(27)29-22-6-4-3-5-7-22/h8-15,17,22H,3-7,16H2,1-2H3,(H,25,26).
What are the key properties of cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 395.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 2788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).