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

C14H17NO4 — CID 5238493

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(C=CC(=O)OCC(=O)N(C)C)c1
InChIInChI=1S/C14H17NO4/c1-15(2)13(16)10-19-14(17)8-7-11-5-4-6-12(9-11)18-3/h4-9H,10H2,1-3H3
InChIKeyRLWYPHKOKRATKI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.34
Rot. Bonds5

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

[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 5238493) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
PubChem CID5238493
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(C=CC(=O)OCC(=O)N(C)C)c1
InChIInChI=1S/C14H17NO4/c1-15(2)13(16)10-19-14(17)8-7-11-5-4-6-12(9-11)18-3/h4-9H,10H2,1-3H3
InChIKeyRLWYPHKOKRATKI-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
[2-(dimethylamino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5137847
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8605010
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 4801404
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 3652885
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543477
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823245
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823217
[2-(2-fluorophenyl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8605041
[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542439
[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

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (CID 5238493) is [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(C=CC(=O)OCC(=O)N(C)C)c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is RLWYPHKOKRATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(2)13(16)10-19-14(17)8-7-11-5-4-6-12(9-11)18-3/h4-9H,10H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 5238493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).