N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide

C18H19NO3 — CID 6439376

IUPACN-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
SMILESCC(=O)N(O)C(C)/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-14(19(21)15(2)20)11-12-16-7-6-10-18(13-16)22-17-8-4-3-5-9-17/h3-14,21H,1-2H3/b12-11+
InChIKeyZLIVOFMPDUIULQ-VAWYXSNFSA-N
MW297.35 g/mol
LogP4.12
Rot. Bonds5

About N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide

N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide (PubChem CID 6439376) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
PubChem CID6439376
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
SMILESCC(=O)N(O)C(C)/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-14(19(21)15(2)20)11-12-16-7-6-10-18(13-16)22-17-8-4-3-5-9-17/h3-14,21H,1-2H3/b12-11+
InChIKeyZLIVOFMPDUIULQ-VAWYXSNFSA-N
XLogP4.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The IUPAC name of N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide (CID 6439376) is N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The canonical SMILES for N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide is CC(=O)N(O)C(C)/C=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The InChIKey is ZLIVOFMPDUIULQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(19(21)15(2)20)11-12-16-7-6-10-18(13-16)22-17-8-4-3-5-9-17/h3-14,21H,1-2H3/b12-11+.
What are the key properties of N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide is sourced from PubChem (CID 6439376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).