methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate

C14H20N2O3 — CID 54888825

IUPACmethyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
SMILESCNC(=O)c1ccc(CNC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-4)16-9-10-5-7-11(8-6-10)12(17)15-3/h5-8,16H,9H2,1-4H3,(H,15,17)
InChIKeyJQCYBYOKDKKZLG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.09
Rot. Bonds5

About methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate

methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate (PubChem CID 54888825) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
PubChem CID54888825
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
SMILESCNC(=O)c1ccc(CNC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-4)16-9-10-5-7-11(8-6-10)12(17)15-3/h5-8,16H,9H2,1-4H3,(H,15,17)
InChIKeyJQCYBYOKDKKZLG-UHFFFAOYSA-N
XLogP1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-carbamoylphenyl)methylamino]-2-methylpropanoate
CID 43787220
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
CID 111469022
methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate
CID 43725940
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
CID 143449159

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate (CID 54888825) is methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate is CNC(=O)c1ccc(CNC(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate?
The InChIKey is JQCYBYOKDKKZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(18)19-4)16-9-10-5-7-11(8-6-10)12(17)15-3/h5-8,16H,9H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate?
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate is sourced from PubChem (CID 54888825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).