ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate

C18H21NO3 — CID 102078700

IUPACethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-18(20)17(14-7-5-13(2)6-8-14)19-15-9-11-16(21-3)12-10-15/h5-12,17,19H,4H2,1-3H3
InChIKeyLBSGACVXXZBBFJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds6

About ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate

ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate (PubChem CID 102078700) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
PubChem CID102078700
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-4-22-18(20)17(14-7-5-13(2)6-8-14)19-15-9-11-16(21-3)12-10-15/h5-12,17,19H,4H2,1-3H3
InChIKeyLBSGACVXXZBBFJ-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
2-(4-methoxyanilino)butanamide
CID 61005469
ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765940
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate (CID 102078700) is ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate is CCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The InChIKey is LBSGACVXXZBBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-18(20)17(14-7-5-13(2)6-8-14)19-15-9-11-16(21-3)12-10-15/h5-12,17,19H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate has a molecular weight of 299.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 102078700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).