2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide

C20H26N2O4 — CID 54811569

IUPAC2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1cccc(NC(=O)CNc2ccc(OCC)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-3-24-12-13-26-19-7-5-6-17(14-19)22-20(23)15-21-16-8-10-18(11-9-16)25-4-2/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,22,23)
InChIKeyPNJPKBNWDSQRIS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds11

About 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide

2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide (PubChem CID 54811569) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
PubChem CID54811569
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1cccc(NC(=O)CNc2ccc(OCC)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-3-24-12-13-26-19-7-5-6-17(14-19)22-20(23)15-21-16-8-10-18(11-9-16)25-4-2/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,22,23)
InChIKeyPNJPKBNWDSQRIS-UHFFFAOYSA-N
XLogP3.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]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-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
3-[4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845953
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide (CID 54811569) is 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide is CCOCCOc1cccc(NC(=O)CNc2ccc(OCC)cc2)c1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide?
The InChIKey is PNJPKBNWDSQRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-24-12-13-26-19-7-5-6-17(14-19)22-20(23)15-21-16-8-10-18(11-9-16)25-4-2/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide?
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54811569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).