N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide

C27H32N2O4 — CID 54826935

IUPACN-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4/c1-21(2)16-17-31-24-14-12-22(13-15-24)29-27(30)20-28-25-10-6-7-11-26(25)33-19-18-32-23-8-4-3-5-9-23/h3-15,21,28H,16-20H2,1-2H3,(H,29,30)
InChIKeyKKYURFPQAIYADP-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.62
Rot. Bonds13

About N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide

N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54826935) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54826935
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4/c1-21(2)16-17-31-24-14-12-22(13-15-24)29-27(30)20-28-25-10-6-7-11-26(25)33-19-18-32-23-8-4-3-5-9-23/h3-15,21,28H,16-20H2,1-2H3,(H,29,30)
InChIKeyKKYURFPQAIYADP-UHFFFAOYSA-N
XLogP5.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.62
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

2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54817368
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54822042
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide (CID 54826935) is N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide is CC(C)CCOc1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is KKYURFPQAIYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-21(2)16-17-31-24-14-12-22(13-15-24)29-27(30)20-28-25-10-6-7-11-26(25)33-19-18-32-23-8-4-3-5-9-23/h3-15,21,28H,16-20H2,1-2H3,(H,29,30).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 448.56 g/mol, XLogP of 5.62, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54826935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).