methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate

C15H23NO4 — CID 18783983

IUPACmethyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-16(2)9-10-20-13-7-5-12(11-14(13)18-3)6-8-15(17)19-4/h5,7,11H,6,8-10H2,1-4H3
InChIKeyBRWAKDBLNAYMDD-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds8

About methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate

methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate (PubChem CID 18783983) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
PubChem CID18783983
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-16(2)9-10-20-13-7-5-12(11-14(13)18-3)6-8-15(17)19-4/h5,7,11H,6,8-10H2,1-4H3
InChIKeyBRWAKDBLNAYMDD-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]propanoic acid
CID 22681315
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
methyl 3-[3-methoxy-4-[4-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]phenoxy]butoxy]phenyl]propanoate
CID 25198238
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622
5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
CID 19004706
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
2-cyano-N-[2-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20987479

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The IUPAC name of methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate (CID 18783983) is methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate is COC(=O)CCc1ccc(OCCN(C)C)c(OC)c1.
What is the InChIKey of methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The InChIKey is BRWAKDBLNAYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-16(2)9-10-20-13-7-5-12(11-14(13)18-3)6-8-15(17)19-4/h5,7,11H,6,8-10H2,1-4H3.
What are the key properties of methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate is sourced from PubChem (CID 18783983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).