N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide

C16H16N2O3 — CID 54399317

IUPACN-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-10(19)17-14-6-3-12(4-7-14)13-5-8-15(16(21)9-13)18-11(2)20/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
InChIKeyVMGQAOQZVKWWNQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.98
Rot. Bonds3

About N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide

N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide (PubChem CID 54399317) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
PubChem CID54399317
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-10(19)17-14-6-3-12(4-7-14)13-5-8-15(16(21)9-13)18-11(2)20/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
InChIKeyVMGQAOQZVKWWNQ-UHFFFAOYSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide (CID 54399317) is N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1.
What is the InChIKey of N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide?
The InChIKey is VMGQAOQZVKWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(19)17-14-6-3-12(4-7-14)13-5-8-15(16(21)9-13)18-11(2)20/h3-9,21H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide?
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide is sourced from PubChem (CID 54399317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).