methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate

C15H23NO3 — CID 116910360

IUPACmethyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,14(17)19-6)13(16(3)4)11-8-7-9-12(10-11)18-5/h7-10,13H,1-6H3
InChIKeyJTNMCHQVJRBXDI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds5

About methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate

methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate (PubChem CID 116910360) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
PubChem CID116910360
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,14(17)19-6)13(16(3)4)11-8-7-9-12(10-11)18-5/h7-10,13H,1-6H3
InChIKeyJTNMCHQVJRBXDI-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
CID 79621335
methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
CID 134466095
methyl (3S)-3-(3-acetyloxyphenyl)-3-amino-2,2-dimethylpropanoate
CID 171249651
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
2-amino-2-(3-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116849865
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate (CID 116910360) is methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)C(c1cccc(OC)c1)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate?
The InChIKey is JTNMCHQVJRBXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,14(17)19-6)13(16(3)4)11-8-7-9-12(10-11)18-5/h7-10,13H,1-6H3.
What are the key properties of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate?
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 116910360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).