[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate

C24H28N2O4 — CID 8538390

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-16(23(28)26-22-14-12-21(13-15-22)25-17(2)27)30-24(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyXZSAXVBPCVVXIV-MRXNPFEDSA-N
MW408.50 g/mol
LogP4.88
Rot. Bonds6

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate (PubChem CID 8538390) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
PubChem CID8538390
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-16(23(28)26-22-14-12-21(13-15-22)25-17(2)27)30-24(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyXZSAXVBPCVVXIV-MRXNPFEDSA-N
XLogP4.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate with MolForge

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Related Compounds

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
CID 8538539
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949863
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949887
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 16520835
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193006
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate (CID 8538390) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate is CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate?
The InChIKey is XZSAXVBPCVVXIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(23(28)26-22-14-12-21(13-15-22)25-17(2)27)30-24(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate has a molecular weight of 408.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate is sourced from PubChem (CID 8538390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).