[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate

C19H27NO3 — CID 16530422

IUPAC[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-14-8-11-17(12-9-14)20-19(22)15(2)23-18(21)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,3-7,10,13H2,1-2H3,(H,20,22)
InChIKeyDRPYVUHOPRMPCW-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.23
Rot. Bonds6

About [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate

[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate (PubChem CID 16530422) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate
PubChem CID16530422
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-14-8-11-17(12-9-14)20-19(22)15(2)23-18(21)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,3-7,10,13H2,1-2H3,(H,20,22)
InChIKeyDRPYVUHOPRMPCW-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate?
The IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate (CID 16530422) is [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate.
What is the SMILES notation for [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate?
The canonical SMILES for [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate is Cc1ccc(NC(=O)C(C)OC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate?
The InChIKey is DRPYVUHOPRMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-8-11-17(12-9-14)20-19(22)15(2)23-18(21)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,3-7,10,13H2,1-2H3,(H,20,22).
What are the key properties of [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate?
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate has a molecular weight of 317.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate is sourced from PubChem (CID 16530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).