(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide

C18H22N2O4 — CID 143149316

IUPAC(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)NCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C18H22N2O4/c1-3-5-6-14(4-2)18(24)20-12-17(23)19-10-9-13-7-8-15(21)16(22)11-13/h3-8,11,21-22H,2,9-10,12H2,1H3,(H,19,23)(H,20,24)/b5-3-,14-6+
InChIKeyQGIPVSHDFLJICN-RGWZVXDZSA-N
MW330.38 g/mol
LogP1.56
Rot. Bonds8

About (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide

(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide (PubChem CID 143149316) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide
PubChem CID143149316
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)NCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C18H22N2O4/c1-3-5-6-14(4-2)18(24)20-12-17(23)19-10-9-13-7-8-15(21)16(22)11-13/h3-8,11,21-22H,2,9-10,12H2,1H3,(H,19,23)(H,20,24)/b5-3-,14-6+
InChIKeyQGIPVSHDFLJICN-RGWZVXDZSA-N
XLogP1.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-5,9,12-trienamide
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2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
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CID 144547616

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide (CID 143149316) is (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide is C=C/C(=C\C=C/C)C(=O)NCC(=O)NCCc1ccc(O)c(O)c1.
What is the InChIKey of (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide?
The InChIKey is QGIPVSHDFLJICN-RGWZVXDZSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-5-6-14(4-2)18(24)20-12-17(23)19-10-9-13-7-8-15(21)16(22)11-13/h3-8,11,21-22H,2,9-10,12H2,1H3,(H,19,23)(H,20,24)/b5-3-,14-6+.
What are the key properties of (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide?
(2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide has a molecular weight of 330.38 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]-2-ethenylhexa-2,4-dienamide is sourced from PubChem (CID 143149316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).