N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide

C18H19NO2 — CID 2827015

IUPACN-(4-oxo-2,4-diphenylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19-18(2,16-11-7-4-8-12-16)13-17(21)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyHSKUOAABUSZUFK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.31
Rot. Bonds5

About N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide

N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide (PubChem CID 2827015) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2,4-diphenylbutan-2-yl)acetamide
PubChem CID2827015
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(4-oxo-2,4-diphenylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19-18(2,16-11-7-4-8-12-16)13-17(21)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyHSKUOAABUSZUFK-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide?
The IUPAC name of N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide (CID 2827015) is N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide?
The canonical SMILES for N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide is CC(=O)NC(C)(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide?
The InChIKey is HSKUOAABUSZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(20)19-18(2,16-11-7-4-8-12-16)13-17(21)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide?
N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide is sourced from PubChem (CID 2827015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).