methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate

C19H21NO3 — CID 100717665

IUPACmethyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1C
InChIInChI=1S/C19H21NO3/c1-12-8-9-15(13(2)10-12)11-18(21)20-17-7-5-6-16(14(17)3)19(22)23-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyXQHZCBBQISTCTH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.58
Rot. Bonds4

About methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate

methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate (PubChem CID 100717665) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
PubChem CID100717665
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1C
InChIInChI=1S/C19H21NO3/c1-12-8-9-15(13(2)10-12)11-18(21)20-17-7-5-6-16(14(17)3)19(22)23-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyXQHZCBBQISTCTH-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
methyl 3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylbenzoate
CID 62134920
methyl 3-(3-chloropropanoylamino)-2-methylbenzoate
CID 43699221
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
CID 28634215
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
CID 9349582
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
5-(3-methoxycarbonyl-2-methylanilino)-5-oxopentanoate
CID 2233814
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate (CID 100717665) is methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1C.
What is the InChIKey of methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate?
The InChIKey is XQHZCBBQISTCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-8-9-15(13(2)10-12)11-18(21)20-17-7-5-6-16(14(17)3)19(22)23-4/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate?
methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate has a molecular weight of 311.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 100717665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).