2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide

C17H24N2O3 — CID 113167863

IUPAC2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccc(C)cc1C
InChIInChI=1S/C17H24N2O3/c1-12-6-7-16(13(2)9-12)19(14(3)20)11-17(21)18-10-15-5-4-8-22-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyUXLLOZQCBKUVCY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds5

About 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113167863) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113167863
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccc(C)cc1C
InChIInChI=1S/C17H24N2O3/c1-12-6-7-16(13(2)9-12)19(14(3)20)11-17(21)18-10-15-5-4-8-22-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyUXLLOZQCBKUVCY-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
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-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174207
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113167863) is 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)c1ccc(C)cc1C.
What is the InChIKey of 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UXLLOZQCBKUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-6-7-16(13(2)9-12)19(14(3)20)11-17(21)18-10-15-5-4-8-22-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113167863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).