methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate

C18H21NO2 — CID 78997392

IUPACmethyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-7-9-14(2)16(13)12-19-17(18(20)21-3)15-10-5-4-6-11-15/h4-11,17,19H,12H2,1-3H3
InChIKeyGDASYRKBWTWMQD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate

methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate (PubChem CID 78997392) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
PubChem CID78997392
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-7-9-14(2)16(13)12-19-17(18(20)21-3)15-10-5-4-6-11-15/h4-11,17,19H,12H2,1-3H3
InChIKeyGDASYRKBWTWMQD-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62109634
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
CID 62474419
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
CID 62109656
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate (CID 78997392) is methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate is COC(=O)C(NCc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate?
The InChIKey is GDASYRKBWTWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-7-9-14(2)16(13)12-19-17(18(20)21-3)15-10-5-4-6-11-15/h4-11,17,19H,12H2,1-3H3.
What are the key properties of methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate?
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate has a molecular weight of 283.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 78997392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).