(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide

C11H13NO3 — CID 15086372

IUPAC(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H13NO3/c1-2-12-11(15)6-4-8-3-5-9(13)10(14)7-8/h3-7,13-14H,2H2,1H3,(H,12,15)/b6-4+
InChIKeyRJWIODMCPUQQLM-GQCTYLIASA-N
MW207.23 g/mol
LogP1.25
Rot. Bonds3

About (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide

(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide (PubChem CID 15086372) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide
PubChem CID15086372
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H13NO3/c1-2-12-11(15)6-4-8-3-5-9(13)10(14)7-8/h3-7,13-14H,2H2,1H3,(H,12,15)/b6-4+
InChIKeyRJWIODMCPUQQLM-GQCTYLIASA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Caffeoyltyramine
CID 9994897
N-Acetyldopamine
CID 100526
AG-490
CID 5328779
N-Caffeoyldopamine
CID 10171904
N-Arachidonoyl dopamine
CID 5282105
Feruloylputrescine
CID 5281796
Tyrphostin AG 698
CID 5328773
Tyrphostin AG 537
CID 5329255
Dimeric Tyrphostin 3
CID 5329256
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 5329257
3-(3,4-Dihydroxyphenyl)-N-phenethylpropenamide, (E)-
CID 11391937
Tyrphostin A46
CID 5328768

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide (CID 15086372) is (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide is CCNC(=O)/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is RJWIODMCPUQQLM-GQCTYLIASA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-12-11(15)6-4-8-3-5-9(13)10(14)7-8/h3-7,13-14H,2H2,1H3,(H,12,15)/b6-4+.
What are the key properties of (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide?
(E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydroxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 15086372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).