methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate

C15H19NO6 — CID 141014160

IUPACmethoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate
SMILESCOCOC(=O)c1ccc(NC(=O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H19NO6/c1-15(2,3)22-14(19)12(17)16-11-7-5-10(6-8-11)13(18)21-9-20-4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyQTWPDTDSFTZOJS-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.73
Rot. Bonds4

About methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate

methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate (PubChem CID 141014160) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate
PubChem CID141014160
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Namemethoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate
SMILESCOCOC(=O)c1ccc(NC(=O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H19NO6/c1-15(2,3)22-14(19)12(17)16-11-7-5-10(6-8-11)13(18)21-9-20-4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyQTWPDTDSFTZOJS-UHFFFAOYSA-N
XLogP1.73
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
methoxymethyl 4-hydroxybenzoate
CID 58114704
methoxymethyl 4-aminobenzoate
CID 65364414
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
CID 112603565
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
3-O-[(4-acetylbenzoyl)oxymethyl] 1-O-(methoxymethyl) propanedioate;methane
CID 162105132
2-methoxyethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19169299
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate (CID 141014160) is methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate is COCOC(=O)c1ccc(NC(=O)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate?
The InChIKey is QTWPDTDSFTZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-15(2,3)22-14(19)12(17)16-11-7-5-10(6-8-11)13(18)21-9-20-4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate?
methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate has a molecular weight of 309.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 141014160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).