ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate

C14H17NO6 — CID 166451203

IUPACethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1c(C(N)=O)cc(OC)c(O)c1OC
InChIInChI=1S/C14H17NO6/c1-5-21-14(18)7(2)10-8(13(15)17)6-9(19-3)11(16)12(10)20-4/h6,16H,2,5H2,1,3-4H3,(H2,15,17)
InChIKeyVSHKKDUWVNITHR-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.08
Rot. Bonds6

About ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate

ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 166451203) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID166451203
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Nameethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1c(C(N)=O)cc(OC)c(O)c1OC
InChIInChI=1S/C14H17NO6/c1-5-21-14(18)7(2)10-8(13(15)17)6-9(19-3)11(16)12(10)20-4/h6,16H,2,5H2,1,3-4H3,(H2,15,17)
InChIKeyVSHKKDUWVNITHR-UHFFFAOYSA-N
XLogP1.08
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate (CID 166451203) is ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate is C=C(C(=O)OCC)c1c(C(N)=O)cc(OC)c(O)c1OC.
What is the InChIKey of ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is VSHKKDUWVNITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-5-21-14(18)7(2)10-8(13(15)17)6-9(19-3)11(16)12(10)20-4/h6,16H,2,5H2,1,3-4H3,(H2,15,17).
What are the key properties of ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 295.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-carbamoyl-3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 166451203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).