(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide

C18H17NO5 — CID 46232536

IUPAC(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)cc1
InChIInChI=1S/C18H17NO5/c1-24-17(11-13-4-7-15(21)16(22)10-13)18(23)19-9-8-12-2-5-14(20)6-3-12/h2-11,20-22H,1H3,(H,19,23)/b9-8+,17-11-
InChIKeyCYLIDDWGNZLNAO-JMAVEDQASA-N
MW327.34 g/mol
LogP2.58
Rot. Bonds5

About (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide

(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide (PubChem CID 46232536) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide
PubChem CID46232536
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)cc1
InChIInChI=1S/C18H17NO5/c1-24-17(11-13-4-7-15(21)16(22)10-13)18(23)19-9-8-12-2-5-14(20)6-3-12/h2-11,20-22H,1H3,(H,19,23)/b9-8+,17-11-
InChIKeyCYLIDDWGNZLNAO-JMAVEDQASA-N
XLogP2.58
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
CID 85081196
methyl 3-(3,4-dihydroxyphenyl)-2-methoxyprop-2-enoate
CID 54517495
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
CID 21422510
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
CID 51521239
N-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]acetamide
CID 21422515
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid
CID 57390741
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
CID 46232496
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide (CID 46232536) is (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide is CO/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide?
The InChIKey is CYLIDDWGNZLNAO-JMAVEDQASA-N. The full InChI is InChI=1S/C18H17NO5/c1-24-17(11-13-4-7-15(21)16(22)10-13)18(23)19-9-8-12-2-5-14(20)6-3-12/h2-11,20-22H,1H3,(H,19,23)/b9-8+,17-11-.
What are the key properties of (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide?
(Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide has a molecular weight of 327.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dihydroxyphenyl)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyprop-2-enamide is sourced from PubChem (CID 46232536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).