methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate

C18H18N2O4 — CID 108518797

IUPACmethyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-20(12-13-6-4-3-5-7-13)17(22)16(21)19-15-10-8-14(9-11-15)18(23)24-2/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeySKMXDBCQMYCSMY-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.07
Rot. Bonds4

About methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate

methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate (PubChem CID 108518797) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
PubChem CID108518797
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-20(12-13-6-4-3-5-7-13)17(22)16(21)19-15-10-8-14(9-11-15)18(23)24-2/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeySKMXDBCQMYCSMY-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[3-[benzyl(methyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108946152
dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108518763
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
methyl 4-[[(2R)-2-methyl-3-phenylpropanoyl]amino]benzoate
CID 160724491
N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide
CID 75443505
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate (CID 108518797) is methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate?
The InChIKey is SKMXDBCQMYCSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-20(12-13-6-4-3-5-7-13)17(22)16(21)19-15-10-8-14(9-11-15)18(23)24-2/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate?
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate has a molecular weight of 326.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108518797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).