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

C27H32N2O4 — CID 54827183

IUPACN-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C27H32N2O4/c1-21(2)15-16-31-24-12-8-9-22(19-24)29-27(30)20-28-25-13-6-7-14-26(25)33-18-17-32-23-10-4-3-5-11-23/h3-14,19,21,28H,15-18,20H2,1-2H3,(H,29,30)
InChIKeyLQFMNGFTBVUOLN-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.62
Rot. Bonds13

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

N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54827183) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54827183
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C27H32N2O4/c1-21(2)15-16-31-24-12-8-9-22(19-24)29-27(30)20-28-25-13-6-7-14-26(25)33-18-17-32-23-10-4-3-5-11-23/h3-14,19,21,28H,15-18,20H2,1-2H3,(H,29,30)
InChIKeyLQFMNGFTBVUOLN-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

N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54817368
2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54814025
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide (CID 54827183) is N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide is CC(C)CCOc1cccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is LQFMNGFTBVUOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-21(2)15-16-31-24-12-8-9-22(19-24)29-27(30)20-28-25-13-6-7-14-26(25)33-18-17-32-23-10-4-3-5-11-23/h3-14,19,21,28H,15-18,20H2,1-2H3,(H,29,30).
What are the key properties of N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide?
N-[3-(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-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54827183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).