[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C18H19NO3 — CID 7489270

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C18H19NO3/c1-13-7-3-5-9-15(13)11-18(21)22-12-17(20)19-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNBDALQKZTZTNAW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.03
Rot. Bonds5

About [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 7489270) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID7489270
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C18H19NO3/c1-13-7-3-5-9-15(13)11-18(21)22-12-17(20)19-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNBDALQKZTZTNAW-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570002
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 71822890
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 7489270) is [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is NBDALQKZTZTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-3-5-9-15(13)11-18(21)22-12-17(20)19-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 297.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 7489270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).