ethane;N-(2-formylphenyl)acetamide

C13H21NO2 — CID 142055624

IUPACethane;N-(2-formylphenyl)acetamide
SMILESCC.CC.CC(=O)Nc1ccccc1C=O
InChIInChI=1S/C9H9NO2.2C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;2*1-2/h2-6H,1H3,(H,10,12);2*1-2H3
InChIKeyNQRMZFIYRJQDOS-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.51
Rot. Bonds2

About ethane;N-(2-formylphenyl)acetamide

ethane;N-(2-formylphenyl)acetamide (PubChem CID 142055624) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-(2-formylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-formylphenyl)acetamide
PubChem CID142055624
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethane;N-(2-formylphenyl)acetamide
SMILESCC.CC.CC(=O)Nc1ccccc1C=O
InChIInChI=1S/C9H9NO2.2C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;2*1-2/h2-6H,1H3,(H,10,12);2*1-2H3
InChIKeyNQRMZFIYRJQDOS-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-formylphenyl)acetamide?
The IUPAC name of ethane;N-(2-formylphenyl)acetamide (CID 142055624) is ethane;N-(2-formylphenyl)acetamide.
What is the SMILES notation for ethane;N-(2-formylphenyl)acetamide?
The canonical SMILES for ethane;N-(2-formylphenyl)acetamide is CC.CC.CC(=O)Nc1ccccc1C=O.
What is the InChIKey of ethane;N-(2-formylphenyl)acetamide?
The InChIKey is NQRMZFIYRJQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.2C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;2*1-2/h2-6H,1H3,(H,10,12);2*1-2H3.
What are the key properties of ethane;N-(2-formylphenyl)acetamide?
ethane;N-(2-formylphenyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-formylphenyl)acetamide is sourced from PubChem (CID 142055624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).