[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate

C18H24N2O4 — CID 17483187

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(17(22)20-15-6-4-3-5-7-15)24-18(23)14-8-10-16(11-9-14)19-13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZXHKZRZUFKPFMU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.64
Rot. Bonds5

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate (PubChem CID 17483187) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
PubChem CID17483187
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(17(22)20-15-6-4-3-5-7-15)24-18(23)14-8-10-16(11-9-14)19-13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZXHKZRZUFKPFMU-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949887
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
CID 8538390
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195613

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate (CID 17483187) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The InChIKey is ZXHKZRZUFKPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(17(22)20-15-6-4-3-5-7-15)24-18(23)14-8-10-16(11-9-14)19-13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate has a molecular weight of 332.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate is sourced from PubChem (CID 17483187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).