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

C27H32N2O4 — CID 54825460

IUPACN-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-16-12-24(13-17-26)29-27(30)21-28-23-10-14-25(15-11-23)32-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,28H,2,6,9,18-21H2,1H3,(H,29,30)
InChIKeyIEIRTTHZHOZKRR-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.16
Rot. Bonds14

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

N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54825460) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
PubChem CID54825460
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-16-12-24(13-17-26)29-27(30)21-28-23-10-14-25(15-11-23)32-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,28H,2,6,9,18-21H2,1H3,(H,29,30)
InChIKeyIEIRTTHZHOZKRR-UHFFFAOYSA-N
XLogP5.16
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.16
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'}

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Related Compounds

2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
3-phenylpropyl 5-[4-(2-ethoxyethoxy)anilino]-5-oxopentanoate
CID 17130608
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide (CID 54825460) is N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide is CCOCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is IEIRTTHZHOZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-16-12-24(13-17-26)29-27(30)21-28-23-10-14-25(15-11-23)32-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,28H,2,6,9,18-21H2,1H3,(H,29,30).
What are the key properties of N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide?
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 448.56 g/mol, XLogP of 5.16, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).