N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide

C20H23NO4 — CID 134044878

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)COc2ccccc2C=O)c1
InChIInChI=1S/C20H23NO4/c1-15-10-16(2)12-18(11-15)24-9-8-21(3)20(23)14-25-19-7-5-4-6-17(19)13-22/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyORXXKLOGYJWITM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.03
Rot. Bonds8

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide (PubChem CID 134044878) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
PubChem CID134044878
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)COc2ccccc2C=O)c1
InChIInChI=1S/C20H23NO4/c1-15-10-16(2)12-18(11-15)24-9-8-21(3)20(23)14-25-19-7-5-4-6-17(19)13-22/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyORXXKLOGYJWITM-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide
CID 18280557
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
2-cyano-3-[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20984483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide (CID 134044878) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide is Cc1cc(C)cc(OCCN(C)C(=O)COc2ccccc2C=O)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide?
The InChIKey is ORXXKLOGYJWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-10-16(2)12-18(11-15)24-9-8-21(3)20(23)14-25-19-7-5-4-6-17(19)13-22/h4-7,10-13H,8-9,14H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide is sourced from PubChem (CID 134044878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).