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

C31H32N2O4 — CID 54826045

IUPAC2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(OCCOc2ccccc2)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C31H32N2O4/c34-31(33-29-18-7-8-19-30(29)37-20-10-13-25-11-3-1-4-12-25)24-32-26-14-9-17-28(23-26)36-22-21-35-27-15-5-2-6-16-27/h1-9,11-12,14-19,23,32H,10,13,20-22,24H2,(H,33,34)
InChIKeyBRUBKXIFSQGWQC-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.21
Rot. Bonds14

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

2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54826045) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54826045
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(OCCOc2ccccc2)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C31H32N2O4/c34-31(33-29-18-7-8-19-30(29)37-20-10-13-25-11-3-1-4-12-25)24-32-26-14-9-17-28(23-26)36-22-21-35-27-15-5-2-6-16-27/h1-9,11-12,14-19,23,32H,10,13,20-22,24H2,(H,33,34)
InChIKeyBRUBKXIFSQGWQC-UHFFFAOYSA-N
XLogP6.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827333
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54826045) is 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide is O=C(CNc1cccc(OCCOc2ccccc2)c1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is BRUBKXIFSQGWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c34-31(33-29-18-7-8-19-30(29)37-20-10-13-25-11-3-1-4-12-25)24-32-26-14-9-17-28(23-26)36-22-21-35-27-15-5-2-6-16-27/h1-9,11-12,14-19,23,32H,10,13,20-22,24H2,(H,33,34).
What are the key properties of 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 496.61 g/mol, XLogP of 6.21, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54826045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).