2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide

C20H24N2O3 — CID 113177439

IUPAC2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-4-14-21-20(24)15-22(16(2)23)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24)
InChIKeyINFVGIJOYJTSGA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.75
Rot. Bonds8

About 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide

2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide (PubChem CID 113177439) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
PubChem CID113177439
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-4-14-21-20(24)15-22(16(2)23)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24)
InChIKeyINFVGIJOYJTSGA-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113177507
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide?
The IUPAC name of 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide (CID 113177439) is 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide?
The canonical SMILES for 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide is CCCCNC(=O)CN(C(C)=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide?
The InChIKey is INFVGIJOYJTSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-4-14-21-20(24)15-22(16(2)23)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide?
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide is sourced from PubChem (CID 113177439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).