N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide

C12H15NO3 — CID 82037059

IUPACN-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cccc(C=O)c1
InChIInChI=1S/C12H15NO3/c1-10(15)13(2)6-7-16-12-5-3-4-11(8-12)9-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyGCCATRRXDYPPLX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide

N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide (PubChem CID 82037059) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
PubChem CID82037059
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cccc(C=O)c1
InChIInChI=1S/C12H15NO3/c1-10(15)13(2)6-7-16-12-5-3-4-11(8-12)9-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyGCCATRRXDYPPLX-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-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-butoxybenzaldehyde;ethane
CID 91380350
N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
3-(3-oxopropoxy)benzaldehyde
CID 63040628
(E)-3-[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 94233033
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
methyl 4-[2-(3-formylphenoxy)ethoxy]benzoate
CID 18526173
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide (CID 82037059) is N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide is CC(=O)N(C)CCOc1cccc(C=O)c1.
What is the InChIKey of N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide?
The InChIKey is GCCATRRXDYPPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-10(15)13(2)6-7-16-12-5-3-4-11(8-12)9-14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide?
N-[2-(3-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-(3-formylphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 82037059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).