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

C31H32N2O3 — CID 54823768

IUPAC2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCc2ccccc2)cc1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C31H32N2O3/c34-31(24-32-27-17-19-28(20-18-27)35-23-21-26-12-5-2-6-13-26)33-29-15-7-8-16-30(29)36-22-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-20,32H,9,14,21-24H2,(H,33,34)
InChIKeyOMKPNOORWATOQH-UHFFFAOYSA-N
MW480.61 g/mol
LogP6.37
Rot. Bonds13

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

2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54823768) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54823768
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCc2ccccc2)cc1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C31H32N2O3/c34-31(24-32-27-17-19-28(20-18-27)35-23-21-26-12-5-2-6-13-26)33-29-15-7-8-16-30(29)36-22-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-20,32H,9,14,21-24H2,(H,33,34)
InChIKeyOMKPNOORWATOQH-UHFFFAOYSA-N
XLogP6.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54823768) is 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide is O=C(CNc1ccc(OCCc2ccccc2)cc1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is OMKPNOORWATOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c34-31(24-32-27-17-19-28(20-18-27)35-23-21-26-12-5-2-6-13-26)33-29-15-7-8-16-30(29)36-22-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-20,32H,9,14,21-24H2,(H,33,34).
What are the key properties of 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 6.37, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54823768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).