2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide

C16H22N2O3 — CID 113167272

IUPAC2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C
InChIInChI=1S/C16H22N2O3/c1-12-6-3-4-8-15(12)18(13(2)19)11-16(20)17-10-14-7-5-9-21-14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20)
InChIKeyHYQQCKMMWFDWIZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.64
Rot. Bonds5

About 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113167272) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113167272
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C
InChIInChI=1S/C16H22N2O3/c1-12-6-3-4-8-15(12)18(13(2)19)11-16(20)17-10-14-7-5-9-21-14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20)
InChIKeyHYQQCKMMWFDWIZ-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174207
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
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-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
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-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113167272) is 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C.
What is the InChIKey of 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HYQQCKMMWFDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-6-3-4-8-15(12)18(13(2)19)11-16(20)17-10-14-7-5-9-21-14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.64, 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-methylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113167272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).