2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C22H26N2O4 — CID 78812646

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O4/c1-3-27-21-13-17(14-25)6-9-20(21)28-15-22(26)23-19-8-7-18(12-16(19)2)24-10-4-5-11-24/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,23,26)
InChIKeyGVNLOELTQUJZQM-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.82
Rot. Bonds8

About 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 78812646) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID78812646
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O4/c1-3-27-21-13-17(14-25)6-9-20(21)28-15-22(26)23-19-8-7-18(12-16(19)2)24-10-4-5-11-24/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,23,26)
InChIKeyGVNLOELTQUJZQM-UHFFFAOYSA-N
XLogP3.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 26654844
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 6457252
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 78812646) is 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GVNLOELTQUJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-21-13-17(14-25)6-9-20(21)28-15-22(26)23-19-8-7-18(12-16(19)2)24-10-4-5-11-24/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 78812646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).