2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C26H30N2O5 — CID 54827581

IUPAC2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C26H30N2O5/c1-2-30-14-15-32-24-12-6-8-21(18-24)27-20-26(29)28-22-9-7-13-25(19-22)33-17-16-31-23-10-4-3-5-11-23/h3-13,18-19,27H,2,14-17,20H2,1H3,(H,28,29)
InChIKeyVPOUKMUQBFLWDM-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.61
Rot. Bonds14

About 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54827581) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54827581
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C26H30N2O5/c1-2-30-14-15-32-24-12-6-8-21(18-24)27-20-26(29)28-22-9-7-13-25(19-22)33-17-16-31-23-10-4-3-5-11-23/h3-13,18-19,27H,2,14-17,20H2,1H3,(H,28,29)
InChIKeyVPOUKMUQBFLWDM-UHFFFAOYSA-N
XLogP4.61
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54827581) is 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is CCOCCOc1cccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is VPOUKMUQBFLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-2-30-14-15-32-24-12-6-8-21(18-24)27-20-26(29)28-22-9-7-13-25(19-22)33-17-16-31-23-10-4-3-5-11-23/h3-13,18-19,27H,2,14-17,20H2,1H3,(H,28,29).
What are the key properties of 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 4.61, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54827581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).