(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide

C16H15NO3 — CID 15986509

IUPAC(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
InChIKeyWKQPXLKFQLGQSM-NYYWCZLTSA-N
MW269.30 g/mol
LogP2.88
Rot. Bonds4

About (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide (PubChem CID 15986509) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide
PubChem CID15986509
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
InChIKeyWKQPXLKFQLGQSM-NYYWCZLTSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide (CID 15986509) is (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide is COc1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide?
The InChIKey is WKQPXLKFQLGQSM-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+.
What are the key properties of (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 15986509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).