2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide

C17H24N2O3 — CID 113169221

IUPAC2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-14-6-8-15(9-7-14)19(13(2)20)12-17(21)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyKUZKVAPLROTGEG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.90
Rot. Bonds6

About 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113169221) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113169221
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-14-6-8-15(9-7-14)19(13(2)20)12-17(21)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyKUZKVAPLROTGEG-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2929871
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113169221) is 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide is CCc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KUZKVAPLROTGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-14-6-8-15(9-7-14)19(13(2)20)12-17(21)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113169221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).