ethyl 2-(2,4-dimethylanilino)-2-phenylacetate

C18H21NO2 — CID 103600909

IUPACethyl 2-(2,4-dimethylanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-21-18(20)17(15-8-6-5-7-9-15)19-16-11-10-13(2)12-14(16)3/h5-12,17,19H,4H2,1-3H3
InChIKeyHDDHOOOGFJNSAT-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds5

About ethyl 2-(2,4-dimethylanilino)-2-phenylacetate

ethyl 2-(2,4-dimethylanilino)-2-phenylacetate (PubChem CID 103600909) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylanilino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylanilino)-2-phenylacetate
PubChem CID103600909
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(2,4-dimethylanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-21-18(20)17(15-8-6-5-7-9-15)19-16-11-10-13(2)12-14(16)3/h5-12,17,19H,4H2,1-3H3
InChIKeyHDDHOOOGFJNSAT-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-(2,5-dibromoanilino)-2-phenylacetate
CID 106677188
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
ethyl N-[1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 45155644
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylanilino)-2-phenylacetate?
The IUPAC name of ethyl 2-(2,4-dimethylanilino)-2-phenylacetate (CID 103600909) is ethyl 2-(2,4-dimethylanilino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2,4-dimethylanilino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(2,4-dimethylanilino)-2-phenylacetate is CCOC(=O)C(Nc1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of ethyl 2-(2,4-dimethylanilino)-2-phenylacetate?
The InChIKey is HDDHOOOGFJNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-18(20)17(15-8-6-5-7-9-15)19-16-11-10-13(2)12-14(16)3/h5-12,17,19H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dimethylanilino)-2-phenylacetate?
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate has a molecular weight of 283.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylanilino)-2-phenylacetate is sourced from PubChem (CID 103600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).