2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide

C17H22N2O4 — CID 113175560

IUPAC2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)14-5-7-15(8-6-14)19(13(2)21)11-17(22)18-10-16-4-3-9-23-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,22)
InChIKeyMYSUDRIADBQNKP-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.54
Rot. Bonds6

About 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113175560) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113175560
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)14-5-7-15(8-6-14)19(13(2)21)11-17(22)18-10-16-4-3-9-23-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,22)
InChIKeyMYSUDRIADBQNKP-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
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-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
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-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174207
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113175560) is 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)c1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1.
What is the InChIKey of 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is MYSUDRIADBQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)14-5-7-15(8-6-14)19(13(2)21)11-17(22)18-10-16-4-3-9-23-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,22).
What are the key properties of 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113175560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).