N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide

C18H19NO3 — CID 18998896

IUPACN-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide
SMILESCN(CCOc1ccc(C=O)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(18(21)13-15-5-3-2-4-6-15)11-12-22-17-9-7-16(14-20)8-10-17/h2-10,14H,11-13H2,1H3
InChIKeyVPLJGZIKVBLHRK-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide

N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide (PubChem CID 18998896) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide
PubChem CID18998896
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide
SMILESCN(CCOc1ccc(C=O)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(18(21)13-15-5-3-2-4-6-15)11-12-22-17-9-7-16(14-20)8-10-17/h2-10,14H,11-13H2,1H3
InChIKeyVPLJGZIKVBLHRK-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.58
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

3-benzyl-1-[2-(4-formylphenoxy)ethyl]-1-methylurea
CID 10245009
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
4-butoxybenzaldehyde;2-phenylacetic acid;2-phenylethanamine
CID 23291704
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
N-methyl-N-[2-(methylamino)ethyl]-2-phenylacetamide
CID 23084464
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 141365248
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide (CID 18998896) is N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide is CN(CCOc1ccc(C=O)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide?
The InChIKey is VPLJGZIKVBLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(18(21)13-15-5-3-2-4-6-15)11-12-22-17-9-7-16(14-20)8-10-17/h2-10,14H,11-13H2,1H3.
What are the key properties of N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide?
N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide has a molecular weight of 297.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 18998896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).