[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate

C23H26N2O4 — CID 7654095

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-17(26)24-19-14-12-18(13-15-19)23(28)29-16-22(27)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H,24,26)
InChIKeyRHFUVKYURMATPS-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.17
Rot. Bonds6

About [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate

[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7654095) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7654095
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-17(26)24-19-14-12-18(13-15-19)23(28)29-16-22(27)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H,24,26)
InChIKeyRHFUVKYURMATPS-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 7654095) is [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is RHFUVKYURMATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-17(26)24-19-14-12-18(13-15-19)23(28)29-16-22(27)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H,24,26).
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 394.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7654095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).