N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide

C12H15NO3 — CID 82037026

IUPACN-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1ccccc1C=O
InChIInChI=1S/C12H15NO3/c1-10(15)13(2)7-8-16-12-6-4-3-5-11(12)9-14/h3-6,9H,7-8H2,1-2H3
InChIKeyYUCXOBBZHASFEO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide

N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide (PubChem CID 82037026) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
PubChem CID82037026
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1ccccc1C=O
InChIInChI=1S/C12H15NO3/c1-10(15)13(2)7-8-16-12-6-4-3-5-11(12)9-14/h3-6,9H,7-8H2,1-2H3
InChIKeyYUCXOBBZHASFEO-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
CID 134044878
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
CID 82037059
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
methyl 2-(2-formylphenoxy)acetate
CID 5151625
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-[(E)-4-oxo-2-phenylpent-2-enoxy]benzaldehyde
CID 101421185
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide (CID 82037026) is N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide is CC(=O)N(C)CCOc1ccccc1C=O.
What is the InChIKey of N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide?
The InChIKey is YUCXOBBZHASFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-10(15)13(2)7-8-16-12-6-4-3-5-11(12)9-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide?
N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 82037026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).