2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide

C30H30N2O5 — CID 54823077

IUPAC2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C30H30N2O5/c33-30(32-25-13-17-29(18-14-25)37-22-20-35-27-9-5-2-6-10-27)23-31-24-11-15-28(16-12-24)36-21-19-34-26-7-3-1-4-8-26/h1-18,31H,19-23H2,(H,32,33)
InChIKeyHOONXOAOYWGIAZ-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.65
Rot. Bonds14

About 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide

2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54823077) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54823077
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C30H30N2O5/c33-30(32-25-13-17-29(18-14-25)37-22-20-35-27-9-5-2-6-10-27)23-31-24-11-15-28(16-12-24)36-21-19-34-26-7-3-1-4-8-26/h1-18,31H,19-23H2,(H,32,33)
InChIKeyHOONXOAOYWGIAZ-UHFFFAOYSA-N
XLogP5.65
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide (CID 54823077) is 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is HOONXOAOYWGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c33-30(32-25-13-17-29(18-14-25)37-22-20-35-27-9-5-2-6-10-27)23-31-24-11-15-28(16-12-24)36-21-19-34-26-7-3-1-4-8-26/h1-18,31H,19-23H2,(H,32,33).
What are the key properties of 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 5.65, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54823077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).