methyl 2-methyl-2-(4-methylanilino)propanoate

C12H17NO2 — CID 60992031

IUPACmethyl 2-methyl-2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-9-5-7-10(8-6-9)13-12(2,3)11(14)15-4/h5-8,13H,1-4H3
InChIKeyQKAYKRFSJSDPCH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds3

About methyl 2-methyl-2-(4-methylanilino)propanoate

methyl 2-methyl-2-(4-methylanilino)propanoate (PubChem CID 60992031) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-methylanilino)propanoate
PubChem CID60992031
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-methyl-2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-9-5-7-10(8-6-9)13-12(2,3)11(14)15-4/h5-8,13H,1-4H3
InChIKeyQKAYKRFSJSDPCH-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-methylanilino)propanoate?
The IUPAC name of methyl 2-methyl-2-(4-methylanilino)propanoate (CID 60992031) is methyl 2-methyl-2-(4-methylanilino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-methylanilino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(4-methylanilino)propanoate is COC(=O)C(C)(C)Nc1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-2-(4-methylanilino)propanoate?
The InChIKey is QKAYKRFSJSDPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-7-10(8-6-9)13-12(2,3)11(14)15-4/h5-8,13H,1-4H3.
What are the key properties of methyl 2-methyl-2-(4-methylanilino)propanoate?
methyl 2-methyl-2-(4-methylanilino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-methylanilino)propanoate is sourced from PubChem (CID 60992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).