ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate

C19H23NO2 — CID 135028793

IUPACethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)[C@@H](Nc1ccc(C)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-19(21)18(16-9-6-13(2)7-10-16)20-17-11-8-14(3)15(4)12-17/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1
InChIKeyBVIISZWRXNLXSZ-SFHVURJKSA-N
MW297.40 g/mol
LogP4.33
Rot. Bonds5

About ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate

ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate (PubChem CID 135028793) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
PubChem CID135028793
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)[C@@H](Nc1ccc(C)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-19(21)18(16-9-6-13(2)7-10-16)20-17-11-8-14(3)15(4)12-17/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1
InChIKeyBVIISZWRXNLXSZ-SFHVURJKSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate?
The IUPAC name of ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate (CID 135028793) is ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate?
The canonical SMILES for ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate is CCOC(=O)[C@@H](Nc1ccc(C)c(C)c1)c1ccc(C)cc1.
What is the InChIKey of ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate?
The InChIKey is BVIISZWRXNLXSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-22-19(21)18(16-9-6-13(2)7-10-16)20-17-11-8-14(3)15(4)12-17/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate?
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate has a molecular weight of 297.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 135028793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).