methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate

C15H23NO4 — CID 82351429

IUPACmethyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-16-12(10-15(17)20-4)8-11-6-7-13(18-2)14(9-11)19-3/h6-7,9,12,16H,5,8,10H2,1-4H3
InChIKeyULPQCAJILXTOFX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.79
Rot. Bonds8

About methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate

methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate (PubChem CID 82351429) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
PubChem CID82351429
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-16-12(10-15(17)20-4)8-11-6-7-13(18-2)14(9-11)19-3/h6-7,9,12,16H,5,8,10H2,1-4H3
InChIKeyULPQCAJILXTOFX-UHFFFAOYSA-N
XLogP1.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
methyl 4-(3,4-dimethoxyphenyl)-3-(prop-2-enylamino)butanoate
CID 82351430
1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474287
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
CID 110476823
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
ethyl 3-chloro-4-(3,4-dimethoxyphenyl)butanoate
CID 82352130
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate?
The IUPAC name of methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate (CID 82351429) is methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate?
The canonical SMILES for methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate is CCNC(CC(=O)OC)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate?
The InChIKey is ULPQCAJILXTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-16-12(10-15(17)20-4)8-11-6-7-13(18-2)14(9-11)19-3/h6-7,9,12,16H,5,8,10H2,1-4H3.
What are the key properties of methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate?
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate is sourced from PubChem (CID 82351429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).