(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C17H15NO5 — CID 142900112

IUPAC(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(O)cc2C=O)ccc1O
InChIInChI=1S/C17H15NO5/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)18-14-5-4-13(20)9-12(14)10-19/h2-10,20-21H,1H3,(H,18,22)/b7-3+
InChIKeyJDMDZBKUROWBIF-XVNBXDOJSA-N
MW313.31 g/mol
LogP2.57
Rot. Bonds5

About (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 142900112) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID142900112
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(O)cc2C=O)ccc1O
InChIInChI=1S/C17H15NO5/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)18-14-5-4-13(20)9-12(14)10-19/h2-10,20-21H,1H3,(H,18,22)/b7-3+
InChIKeyJDMDZBKUROWBIF-XVNBXDOJSA-N
XLogP2.57
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzaldehyde
CID 21338011
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359992
ethyl 2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 139840019
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(E)-3-(3,4-dihydroxyphenyl)-N-[2-hydroxy-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359982
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
1-(2,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 3981090
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
S-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate
CID 122188493
(E)-N-hydroxy-3-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]prop-2-enamide
CID 177379694
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 162666594

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 142900112) is (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(O)cc2C=O)ccc1O.
What is the InChIKey of (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is JDMDZBKUROWBIF-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H15NO5/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)18-14-5-4-13(20)9-12(14)10-19/h2-10,20-21H,1H3,(H,18,22)/b7-3+.
What are the key properties of (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 313.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-formyl-4-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 142900112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).