methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate

C13H19NO3 — CID 116910243

IUPACmethyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
SMILESCOC(=O)CC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C13H19NO3/c1-14(2)12(9-13(15)17-4)10-6-5-7-11(8-10)16-3/h5-8,12H,9H2,1-4H3
InChIKeyFKZOHNKTKOZONG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate

methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate (PubChem CID 116910243) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
PubChem CID116910243
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
SMILESCOC(=O)CC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C13H19NO3/c1-14(2)12(9-13(15)17-4)10-6-5-7-11(8-10)16-3/h5-8,12H,9H2,1-4H3
InChIKeyFKZOHNKTKOZONG-UHFFFAOYSA-N
XLogP1.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-isocyanato-1-(3-methoxyphenyl)-N,N-dimethylethanamine
CID 63109938
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
3-chloro-1-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 116907619
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate (CID 116910243) is methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate is COC(=O)CC(c1cccc(OC)c1)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate?
The InChIKey is FKZOHNKTKOZONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(2)12(9-13(15)17-4)10-6-5-7-11(8-10)16-3/h5-8,12H,9H2,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate?
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.86, 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)propanoate is sourced from PubChem (CID 116910243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).