N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide

C18H17NO3 — CID 146164102

IUPACN-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide
SMILESCC(=O)/N=C(/CC(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(20)19-16(14-8-4-2-5-9-14)12-17(21)18(22)15-10-6-3-7-11-15/h2-11,17,21H,12H2,1H3/b19-16-
InChIKeyWWUDJJFUJJRFSE-MNDPQUGUSA-N
MW295.34 g/mol
LogP2.66
Rot. Bonds5

About N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide

N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide (PubChem CID 146164102) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide
PubChem CID146164102
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide
SMILESCC(=O)/N=C(/CC(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(20)19-16(14-8-4-2-5-9-14)12-17(21)18(22)15-10-6-3-7-11-15/h2-11,17,21H,12H2,1H3/b19-16-
InChIKeyWWUDJJFUJJRFSE-MNDPQUGUSA-N
XLogP2.66
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide?
The IUPAC name of N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide (CID 146164102) is N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide?
The canonical SMILES for N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide is CC(=O)/N=C(/CC(O)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide?
The InChIKey is WWUDJJFUJJRFSE-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13(20)19-16(14-8-4-2-5-9-14)12-17(21)18(22)15-10-6-3-7-11-15/h2-11,17,21H,12H2,1H3/b19-16-.
What are the key properties of N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide?
N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-oxo-1,4-diphenylbutylidene)acetamide is sourced from PubChem (CID 146164102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).