[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate

C19H24F2N2O6 — CID 4794681

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N2O6/c1-11(16(24)23-19(26)22-13-6-4-3-5-7-13)28-17(25)12-8-9-14(29-18(20)21)15(10-12)27-2/h8-11,13,18H,3-7H2,1-2H3,(H2,22,23,24,26)
InChIKeyJIKYPGDOGGYWJS-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.00
Rot. Bonds7

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 4794681) has the molecular formula C19H24F2N2O6 and a molecular weight of 414.41 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID4794681
Molecular FormulaC19H24F2N2O6
Molecular Weight414.41 g/mol
Exact Mass414.16
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N2O6/c1-11(16(24)23-19(26)22-13-6-4-3-5-7-13)28-17(25)12-8-9-14(29-18(20)21)15(10-12)27-2/h8-11,13,18H,3-7H2,1-2H3,(H2,22,23,24,26)
InChIKeyJIKYPGDOGGYWJS-UHFFFAOYSA-N
XLogP3.00
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate (CID 4794681) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is JIKYPGDOGGYWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O6/c1-11(16(24)23-19(26)22-13-6-4-3-5-7-13)28-17(25)12-8-9-14(29-18(20)21)15(10-12)27-2/h8-11,13,18H,3-7H2,1-2H3,(H2,22,23,24,26).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 414.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 4794681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).