N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide

C16H19NO2 — CID 54020507

IUPACN-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide
SMILESCCC(CC)C1=C(NC(C)=O)C(=O)c2ccccc21
InChIInChI=1S/C16H19NO2/c1-4-11(5-2)14-12-8-6-7-9-13(12)16(19)15(14)17-10(3)18/h6-9,11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKYPJSAOVTBZNEM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.17
Rot. Bonds4

About N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide

N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide (PubChem CID 54020507) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide
PubChem CID54020507
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide
SMILESCCC(CC)C1=C(NC(C)=O)C(=O)c2ccccc21
InChIInChI=1S/C16H19NO2/c1-4-11(5-2)14-12-8-6-7-9-13(12)16(19)15(14)17-10(3)18/h6-9,11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKYPJSAOVTBZNEM-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide?
The IUPAC name of N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide (CID 54020507) is N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide.
What is the SMILES notation for N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide?
The canonical SMILES for N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide is CCC(CC)C1=C(NC(C)=O)C(=O)c2ccccc21.
What is the InChIKey of N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide?
The InChIKey is KYPJSAOVTBZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-11(5-2)14-12-8-6-7-9-13(12)16(19)15(14)17-10(3)18/h6-9,11H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide?
N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-pentan-3-ylinden-2-yl)acetamide is sourced from PubChem (CID 54020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).