methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate

C17H16N2O5 — CID 108512455

IUPACmethyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O5/c1-19(11-7-9-12(20)10-8-11)16(22)15(21)18-14-6-4-3-5-13(14)17(23)24-2/h3-10,20H,1-2H3,(H,18,21)
InChIKeyUMQUXBSMPCSRFN-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108512455) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108512455
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Namemethyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O5/c1-19(11-7-9-12(20)10-8-11)16(22)15(21)18-14-6-4-3-5-13(14)17(23)24-2/h3-10,20H,1-2H3,(H,18,21)
InChIKeyUMQUXBSMPCSRFN-UHFFFAOYSA-N
XLogP1.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512391
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
methyl 2-[[2-[4-(dimethylamino)anilino]acetyl]amino]benzoate
CID 109010084

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate (CID 108512455) is methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is UMQUXBSMPCSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-19(11-7-9-12(20)10-8-11)16(22)15(21)18-14-6-4-3-5-13(14)17(23)24-2/h3-10,20H,1-2H3,(H,18,21).
What are the key properties of methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 328.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).