[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate

C23H26N2O4 — CID 8538394

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H26N2O4/c1-16(26)24-20-8-5-9-21(14-20)25-22(27)15-29-23(28)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyDJFLVJONCXYCPS-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.49
Rot. Bonds6

About [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate

[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate (PubChem CID 8538394) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
PubChem CID8538394
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H26N2O4/c1-16(26)24-20-8-5-9-21(14-20)25-22(27)15-29-23(28)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyDJFLVJONCXYCPS-UHFFFAOYSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 18206257
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate (CID 8538394) is [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate?
The InChIKey is DJFLVJONCXYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(26)24-20-8-5-9-21(14-20)25-22(27)15-29-23(28)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate has a molecular weight of 394.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate is sourced from PubChem (CID 8538394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).