[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate

C15H18F2N2O5 — CID 8540587

IUPAC[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O5/c1-8(2)18-15(22)19-12(20)9(3)23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-9,14H,1-3H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyBSZOYRXIKLPHJD-SECBINFHSA-N
MW344.31 g/mol
LogP2.07
Rot. Bonds6

About [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate

[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate (PubChem CID 8540587) has the molecular formula C15H18F2N2O5 and a molecular weight of 344.31 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
PubChem CID8540587
Molecular FormulaC15H18F2N2O5
Molecular Weight344.31 g/mol
Exact Mass344.12
IUPAC Name[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O5/c1-8(2)18-15(22)19-12(20)9(3)23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-9,14H,1-3H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyBSZOYRXIKLPHJD-SECBINFHSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 2691678
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959482
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959481
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609616
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7608993
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609608
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
CID 46646668
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfonylbenzoate
CID 9307981
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540288
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540281
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 26732079

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate (CID 8540587) is [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate is CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate?
The InChIKey is BSZOYRXIKLPHJD-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F2N2O5/c1-8(2)18-15(22)19-12(20)9(3)23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-9,14H,1-3H3,(H2,18,19,20,22)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate?
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate has a molecular weight of 344.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 8540587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).