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

C16H24N2O3 — CID 113173852

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-6-11-17-16(20)12-18(13(3)19)14-7-9-15(10-8-14)21-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyUQEJYNPOEZBIDW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.35
Rot. Bonds8

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

2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide (PubChem CID 113173852) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
PubChem CID113173852
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-6-11-17-16(20)12-18(13(3)19)14-7-9-15(10-8-14)21-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyUQEJYNPOEZBIDW-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.35
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-phenoxyanilino)-N-butylacetamide
CID 113177439
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-(N-acetyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113173936
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide (CID 113173852) is 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide is CCCCNC(=O)CN(C(C)=O)c1ccc(OCC)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide?
The InChIKey is UQEJYNPOEZBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-6-11-17-16(20)12-18(13(3)19)14-7-9-15(10-8-14)21-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,17,20).
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide?
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.35, 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-ethoxyanilino)-N-butylacetamide is sourced from PubChem (CID 113173852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).