ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate

C15H23NO4 — CID 58870370

IUPACethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(OCCCNC)c1
InChIInChI=1S/C15H23NO4/c1-4-19-15(17)11-12-6-7-13(18-3)14(10-12)20-9-5-8-16-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyVYDREDQOOWQQCP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.79
Rot. Bonds9

About ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate

ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate (PubChem CID 58870370) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate
PubChem CID58870370
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(OCCCNC)c1
InChIInChI=1S/C15H23NO4/c1-4-19-15(17)11-12-6-7-13(18-3)14(10-12)20-9-5-8-16-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyVYDREDQOOWQQCP-UHFFFAOYSA-N
XLogP1.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 58870343
CID 58870343
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455
ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate
CID 67085942
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
ethyl 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetate
CID 139659897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate (CID 58870370) is ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate is CCOC(=O)Cc1ccc(OC)c(OCCCNC)c1.
What is the InChIKey of ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate?
The InChIKey is VYDREDQOOWQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-19-15(17)11-12-6-7-13(18-3)14(10-12)20-9-5-8-16-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate?
ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate has a molecular weight of 281.35 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate is sourced from PubChem (CID 58870370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).