n-(3-Oxo-1-phenylbutan-2-yl)acetamide

C12H15NO2 — CID 227936

IUPACN-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(CC1=CC=CC=C1)NC(=O)C
InChIInChI=1S/C12H15NO2/c1-9(14)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,13,15)
InChIKeySJAVOHKJNGHDEC-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.30
Rot. Bonds4

About n-(3-Oxo-1-phenylbutan-2-yl)acetamide

n-(3-Oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 227936) has the molecular formula C12H15NO2 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Namen-(3-Oxo-1-phenylbutan-2-yl)acetamide
PubChem CID227936
Molecular FormulaC12H15NO2
Molecular Weight205.25 g/mol
Exact Mass205.11
IUPAC NameN-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(CC1=CC=CC=C1)NC(=O)C
InChIInChI=1S/C12H15NO2/c1-9(14)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,13,15)
InChIKeySJAVOHKJNGHDEC-UHFFFAOYSA-N
XLogP1.30
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity232

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of n-(3-Oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of n-(3-Oxo-1-phenylbutan-2-yl)acetamide (CID 227936) is N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for n-(3-Oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for n-(3-Oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(CC1=CC=CC=C1)NC(=O)C.
What is the InChIKey of n-(3-Oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is SJAVOHKJNGHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,13,15).
What are the key properties of n-(3-Oxo-1-phenylbutan-2-yl)acetamide?
n-(3-Oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 205.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for n-(3-Oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 227936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).