(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide

C11H13NO4 — CID 6433880

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NO)cc1OC
InChIInChI=1S/C11H13NO4/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(13)12-14/h3-7,14H,1-2H3,(H,12,13)/b6-4+
InChIKeyFAKIVHFFVVPOKL-GQCTYLIASA-N
MW223.23 g/mol
LogP1.22
Rot. Bonds4

About (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide (PubChem CID 6433880) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
PubChem CID6433880
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NO)cc1OC
InChIInChI=1S/C11H13NO4/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(13)12-14/h3-7,14H,1-2H3,(H,12,13)/b6-4+
InChIKeyFAKIVHFFVVPOKL-GQCTYLIASA-N
XLogP1.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-N-hydroxy-3-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]prop-2-enamide
CID 177379694
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide (CID 6433880) is (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide is COc1ccc(/C=C/C(=O)NO)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide?
The InChIKey is FAKIVHFFVVPOKL-GQCTYLIASA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(13)12-14/h3-7,14H,1-2H3,(H,12,13)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide has a molecular weight of 223.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 6433880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).