methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate

C18H19NO3 — CID 100583620

IUPACmethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C18H19NO3/c1-12-8-9-14(13(2)10-12)11-17(20)19-16-7-5-4-6-15(16)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyQZQDIZLTJLFKIM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.27
Rot. Bonds4

About methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate

methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate (PubChem CID 100583620) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
PubChem CID100583620
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C18H19NO3/c1-12-8-9-14(13(2)10-12)11-17(20)19-16-7-5-4-6-15(16)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyQZQDIZLTJLFKIM-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
CID 100717665
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
methyl 2-[[3-[(4-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945817
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246
N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
CID 41099780
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate (CID 100583620) is methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C.
What is the InChIKey of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate?
The InChIKey is QZQDIZLTJLFKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-8-9-14(13(2)10-12)11-17(20)19-16-7-5-4-6-15(16)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate?
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 100583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).