methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate

C15H23NO2 — CID 116910352

IUPACmethyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
SMILESCOC(=O)C(C)(C)C(c1cccc(C)c1)N(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-7-9-12(10-11)13(16(4)5)15(2,3)14(17)18-6/h7-10,13H,1-6H3
InChIKeyUMVWODUYHAMYCX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.80
Rot. Bonds4

About methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate

methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate (PubChem CID 116910352) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
PubChem CID116910352
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
SMILESCOC(=O)C(C)(C)C(c1cccc(C)c1)N(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-7-9-12(10-11)13(16(4)5)15(2,3)14(17)18-6/h7-10,13H,1-6H3
InChIKeyUMVWODUYHAMYCX-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
CID 116910360
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
CID 116904978
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate
CID 66089772
methyl 2-[dimethylamino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116913644
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
tert-butyl (3S)-3-amino-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 125455376
ethyl 3-hydroxy-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 55071318
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 3-[[(1R)-1-(3-methylphenyl)ethyl]amino]butanoate
CID 81360687

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate (CID 116910352) is methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate is COC(=O)C(C)(C)C(c1cccc(C)c1)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate?
The InChIKey is UMVWODUYHAMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-7-9-12(10-11)13(16(4)5)15(2,3)14(17)18-6/h7-10,13H,1-6H3.
What are the key properties of methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate?
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate is sourced from PubChem (CID 116910352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).