methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate

C18H21NO2 — CID 162406371

IUPACmethyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
SMILESCOC(=O)C(Nc1cc(C)c(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-12-10-16(11-13(2)14(12)3)19-17(18(20)21-4)15-8-6-5-7-9-15/h5-11,17,19H,1-4H3
InChIKeyCQEVUNZLZOTFKE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.94
Rot. Bonds4

About methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate

methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate (PubChem CID 162406371) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
PubChem CID162406371
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
SMILESCOC(=O)C(Nc1cc(C)c(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-12-10-16(11-13(2)14(12)3)19-17(18(20)21-4)15-8-6-5-7-9-15/h5-11,17,19H,1-4H3
InChIKeyCQEVUNZLZOTFKE-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
ethyl 2-[(S)-(3-methoxy-4,5-dimethylanilino)-phenylmethyl]prop-2-enoate
CID 118360692
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl 2-(3-cyano-5-fluoroanilino)-2-phenylacetate
CID 102816133
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate?
The IUPAC name of methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate (CID 162406371) is methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate is COC(=O)C(Nc1cc(C)c(C)c(C)c1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate?
The InChIKey is CQEVUNZLZOTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-10-16(11-13(2)14(12)3)19-17(18(20)21-4)15-8-6-5-7-9-15/h5-11,17,19H,1-4H3.
What are the key properties of methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate?
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate has a molecular weight of 283.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate is sourced from PubChem (CID 162406371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).