[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate

C18H18N2O5 — CID 46668075

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18N2O5/c1-12(25-17(22)13-7-6-10-15(11-13)24-2)16(21)20-18(23)19-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,19,20,21,23)
InChIKeyQOIJVOVTOODSGU-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.59
Rot. Bonds5

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate (PubChem CID 46668075) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
PubChem CID46668075
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18N2O5/c1-12(25-17(22)13-7-6-10-15(11-13)24-2)16(21)20-18(23)19-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,19,20,21,23)
InChIKeyQOIJVOVTOODSGU-UHFFFAOYSA-N
XLogP2.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 16522210
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612332
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 5227047
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986057
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 55480575
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 46668615
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700545
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838862
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7299042

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate (CID 46668075) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate is COc1cccc(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)c1.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate?
The InChIKey is QOIJVOVTOODSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(25-17(22)13-7-6-10-15(11-13)24-2)16(21)20-18(23)19-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,19,20,21,23).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate has a molecular weight of 342.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate is sourced from PubChem (CID 46668075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).