2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

C16H23NO5 — CID 155475590

IUPAC2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCNCCOCCOC(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-17-8-9-21-10-11-22-16(18)7-5-13-4-6-14(19-2)15(12-13)20-3/h4-7,12,17H,8-11H2,1-3H3/b7-5+
InChIKeyRLZFQTTZAAKRNT-FNORWQNLSA-N
MW309.36 g/mol
LogP1.50
Rot. Bonds10

About 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 155475590) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID155475590
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCNCCOCCOC(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-17-8-9-21-10-11-22-16(18)7-5-13-4-6-14(19-2)15(12-13)20-3/h4-7,12,17H,8-11H2,1-3H3/b7-5+
InChIKeyRLZFQTTZAAKRNT-FNORWQNLSA-N
XLogP1.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543
(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
7-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyheptyl 2-methylprop-2-enoate
CID 69118218
2-[5-[2-[2-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxyethoxy]ethylcarbamoyl]-2,3-bis(carboxymethyl)phenyl]acetic acid
CID 159961831
2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71823318
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
7-trichlorosilylheptyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 140988185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (CID 155475590) is 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is CNCCOCCOC(=O)/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is RLZFQTTZAAKRNT-FNORWQNLSA-N. The full InChI is InChI=1S/C16H23NO5/c1-17-8-9-21-10-11-22-16(18)7-5-13-4-6-14(19-2)15(12-13)20-3/h4-7,12,17H,8-11H2,1-3H3/b7-5+.
What are the key properties of 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 309.36 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 155475590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).