methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate

C20H21NO4 — CID 123282588

IUPACmethyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C20H21NO4/c1-13-8-9-16(14(2)10-13)18(22)11-15-6-4-5-7-17(15)20(24)21-12-19(23)25-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyBAMPBCMANHZWQP-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.63
Rot. Bonds6

About methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate

methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate (PubChem CID 123282588) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate
PubChem CID123282588
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C20H21NO4/c1-13-8-9-16(14(2)10-13)18(22)11-15-6-4-5-7-17(15)20(24)21-12-19(23)25-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyBAMPBCMANHZWQP-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
methyl 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylacetate
CID 43414147
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate (CID 123282588) is methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccccc1CC(=O)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate?
The InChIKey is BAMPBCMANHZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-8-9-16(14(2)10-13)18(22)11-15-6-4-5-7-17(15)20(24)21-12-19(23)25-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate?
methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate has a molecular weight of 339.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate is sourced from PubChem (CID 123282588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).