2-(2-formylphenoxy)butanamide

C11H13NO3 — CID 62900622

IUPAC2-(2-formylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C=O)C(N)=O
InChIInChI=1S/C11H13NO3/c1-2-9(11(12)14)15-10-6-4-3-5-8(10)7-13/h3-7,9H,2H2,1H3,(H2,12,14)
InChIKeyQDWTYIIIGXYPJM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.14
Rot. Bonds5

About 2-(2-formylphenoxy)butanamide

2-(2-formylphenoxy)butanamide (PubChem CID 62900622) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-formylphenoxy)butanamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)butanamide
PubChem CID62900622
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-formylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C=O)C(N)=O
InChIInChI=1S/C11H13NO3/c1-2-9(11(12)14)15-10-6-4-3-5-8(10)7-13/h3-7,9H,2H2,1H3,(H2,12,14)
InChIKeyQDWTYIIIGXYPJM-UHFFFAOYSA-N
XLogP1.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
2-(1-formylnaphthalen-2-yl)oxybutanamide
CID 62901202
2-(2-formyl-5-propoxyphenoxy)butanamide
CID 62901200
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
(2-formylphenyl) 3-methylpentanoate
CID 145320755
2-quinolin-8-yloxybutanamide
CID 62901439
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608938
2-(4-bromo-2-formyl-6-methylphenoxy)butanamide
CID 112620734

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)butanamide?
The IUPAC name of 2-(2-formylphenoxy)butanamide (CID 62900622) is 2-(2-formylphenoxy)butanamide.
What is the SMILES notation for 2-(2-formylphenoxy)butanamide?
The canonical SMILES for 2-(2-formylphenoxy)butanamide is CCC(Oc1ccccc1C=O)C(N)=O.
What is the InChIKey of 2-(2-formylphenoxy)butanamide?
The InChIKey is QDWTYIIIGXYPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-9(11(12)14)15-10-6-4-3-5-8(10)7-13/h3-7,9H,2H2,1H3,(H2,12,14).
What are the key properties of 2-(2-formylphenoxy)butanamide?
2-(2-formylphenoxy)butanamide has a molecular weight of 207.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)butanamide is sourced from PubChem (CID 62900622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).