methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate

C19H20N2O4 — CID 108945478

IUPACmethyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C19H20N2O4/c1-13-7-3-4-8-14(13)12-20-17(22)11-18(23)21-16-10-6-5-9-15(16)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYXVQZGIEHHXVLT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.43
Rot. Bonds6

About methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate

methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate (PubChem CID 108945478) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
PubChem CID108945478
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C19H20N2O4/c1-13-7-3-4-8-14(13)12-20-17(22)11-18(23)21-16-10-6-5-9-15(16)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYXVQZGIEHHXVLT-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-[(4-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945817
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945457
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate (CID 108945478) is methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC(=O)NCc1ccccc1C.
What is the InChIKey of methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The InChIKey is YXVQZGIEHHXVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-3-4-8-14(13)12-20-17(22)11-18(23)21-16-10-6-5-9-15(16)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108945478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).