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

C16H15NO3 — CID 15986506

IUPAC(E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(CO)cc2)cc1)NO
InChIInChI=1S/C16H15NO3/c18-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)17-20/h1-10,18,20H,11H2,(H,17,19)/b10-5+
InChIKeyXFZNAPXOKXVDAC-BJMVGYQFSA-N
MW269.30 g/mol
LogP2.36
Rot. Bonds4

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

(E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide (PubChem CID 15986506) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
PubChem CID15986506
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(CO)cc2)cc1)NO
InChIInChI=1S/C16H15NO3/c18-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)17-20/h1-10,18,20H,11H2,(H,17,19)/b10-5+
InChIKeyXFZNAPXOKXVDAC-BJMVGYQFSA-N
XLogP2.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.36
H-Bond Donors ≤ 53
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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Related Compounds

CID 15986418
CID 15986418
CID 76329682
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CID 6449395
CID 6449395
CID 5368484
CID 5368484
CID 87598810
CID 87598810
CID 87598811
CID 87598811
CID 90994441
CID 90994441
CID 141194662
CID 141194662
CID 142365812
CID 142365812
CID 173761590
CID 173761590
CID 129727534
CID 129727534
CID 9227293
CID 9227293

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide (CID 15986506) is (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(CO)cc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The InChIKey is XFZNAPXOKXVDAC-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H15NO3/c18-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)17-20/h1-10,18,20H,11H2,(H,17,19)/b10-5+.
What are the key properties of (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 15986506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).