N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide

C18H19NO2 — CID 14156803

IUPACN-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-14(19(21)15(2)20)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-14,21H,1-2H3/b9-8+
InChIKeyDJTKZXWZMWHUDH-CMDGGOBGSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds4

About N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide

N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide (PubChem CID 14156803) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide
PubChem CID14156803
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-14(19(21)15(2)20)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-14,21H,1-2H3/b9-8+
InChIKeyDJTKZXWZMWHUDH-CMDGGOBGSA-N
XLogP4.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide (CID 14156803) is N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide is CC(=O)N(O)C(C)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide?
The InChIKey is DJTKZXWZMWHUDH-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(19(21)15(2)20)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-14,21H,1-2H3/b9-8+.
What are the key properties of N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide?
N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 14156803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).