[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate

C15H19NO5 — CID 71823245

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOCCNC(=O)COC(=O)C=Cc1cccc(OC)c1
InChIInChI=1S/C15H19NO5/c1-19-9-8-16-14(17)11-21-15(18)7-6-12-4-3-5-13(10-12)20-2/h3-7,10H,8-9,11H2,1-2H3,(H,16,17)
InChIKeyRLQYXUCJLHVHSO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.01
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 71823245) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
PubChem CID71823245
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOCCNC(=O)COC(=O)C=Cc1cccc(OC)c1
InChIInChI=1S/C15H19NO5/c1-19-9-8-16-14(17)11-21-15(18)7-6-12-4-3-5-13(10-12)20-2/h3-7,10H,8-9,11H2,1-2H3,(H,16,17)
InChIKeyRLQYXUCJLHVHSO-UHFFFAOYSA-N
XLogP1.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethylamino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2509557
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823217
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7788234
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 4591582
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543477
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542409
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883145
[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823238
[2-(4-methylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543449
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 9287655
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 5238493

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (CID 71823245) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is COCCNC(=O)COC(=O)C=Cc1cccc(OC)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is RLQYXUCJLHVHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-9-8-16-14(17)11-21-15(18)7-6-12-4-3-5-13(10-12)20-2/h3-7,10H,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 293.32 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 71823245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).