ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate

C15H23NO2 — CID 115128855

IUPACethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)15(3,4)16(5)11-13-10-8-7-9-12(13)2/h7-10H,6,11H2,1-5H3
InChIKeyMVQLWNYBGXQQAH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds5

About ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate

ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate (PubChem CID 115128855) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
PubChem CID115128855
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)15(3,4)16(5)11-13-10-8-7-9-12(13)2/h7-10H,6,11H2,1-5H3
InChIKeyMVQLWNYBGXQQAH-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate (CID 115128855) is ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate is CCOC(=O)C(C)(C)N(C)Cc1ccccc1C.
What is the InChIKey of ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate?
The InChIKey is MVQLWNYBGXQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-14(17)15(3,4)16(5)11-13-10-8-7-9-12(13)2/h7-10H,6,11H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate?
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate is sourced from PubChem (CID 115128855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).