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

C14H15NO2 — CID 54085843

IUPACN-(1-oxo-3-propan-2-ylinden-2-yl)acetamide
SMILESCC(=O)NC1=C(C(C)C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-8(2)12-10-6-4-5-7-11(10)14(17)13(12)15-9(3)16/h4-8H,1-3H3,(H,15,16,17)
InChIKeyMQJVXVBQDWIOSW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds2

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

N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide (PubChem CID 54085843) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-propan-2-ylinden-2-yl)acetamide
PubChem CID54085843
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(1-oxo-3-propan-2-ylinden-2-yl)acetamide
SMILESCC(=O)NC1=C(C(C)C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-8(2)12-10-6-4-5-7-11(10)14(17)13(12)15-9(3)16/h4-8H,1-3H3,(H,15,16,17)
InChIKeyMQJVXVBQDWIOSW-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide?
The IUPAC name of N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide (CID 54085843) is N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide.
What is the SMILES notation for N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide?
The canonical SMILES for N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide is CC(=O)NC1=C(C(C)C)c2ccccc2C1=O.
What is the InChIKey of N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide?
The InChIKey is MQJVXVBQDWIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8(2)12-10-6-4-5-7-11(10)14(17)13(12)15-9(3)16/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide?
N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide is sourced from PubChem (CID 54085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).