(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide

C19H19NO5 — CID 11617070

IUPAC(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1cc(/C=C/C=C/C(=O)NCc2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C19H19NO5/c1-25-18-11-13(6-9-16(18)22)4-2-3-5-19(24)20-12-14-7-8-15(21)17(23)10-14/h2-11,21-23H,12H2,1H3,(H,20,24)/b4-2+,5-3+
InChIKeyXNNDAYUPFAQRMT-ZUVMSYQZSA-N
MW341.36 g/mol
LogP2.70
Rot. Bonds6

About (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide

(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide (PubChem CID 11617070) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
PubChem CID11617070
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1cc(/C=C/C=C/C(=O)NCc2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C19H19NO5/c1-25-18-11-13(6-9-16(18)22)4-2-3-5-19(24)20-12-14-7-8-15(21)17(23)10-14/h2-11,21-23H,12H2,1H3,(H,20,24)/b4-2+,5-3+
InChIKeyXNNDAYUPFAQRMT-ZUVMSYQZSA-N
XLogP2.70
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2E,4E)-N-benzyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 158517150
N-(4-acetamidobutyl)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 57154622
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 158723179
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
methyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 152502233
methyl (2Z,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 166068269
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 5280537
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide (CID 11617070) is (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide is COc1cc(/C=C/C=C/C(=O)NCc2ccc(O)c(O)c2)ccc1O.
What is the InChIKey of (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide?
The InChIKey is XNNDAYUPFAQRMT-ZUVMSYQZSA-N. The full InChI is InChI=1S/C19H19NO5/c1-25-18-11-13(6-9-16(18)22)4-2-3-5-19(24)20-12-14-7-8-15(21)17(23)10-14/h2-11,21-23H,12H2,1H3,(H,20,24)/b4-2+,5-3+.
What are the key properties of (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide?
(2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide has a molecular weight of 341.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 11617070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).