2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C9H18N2O4 — CID 66169661

IUPAC2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(=O)N(C)CC(=O)NCC(C)(O)CO
InChIInChI=1S/C9H18N2O4/c1-7(13)11(3)4-8(14)10-5-9(2,15)6-12/h12,15H,4-6H2,1-3H3,(H,10,14)
InChIKeyJSSJBRLVPOFBAF-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.68
Rot. Bonds5

About 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66169661) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66169661
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(=O)N(C)CC(=O)NCC(C)(O)CO
InChIInChI=1S/C9H18N2O4/c1-7(13)11(3)4-8(14)10-5-9(2,15)6-12/h12,15H,4-6H2,1-3H3,(H,10,14)
InChIKeyJSSJBRLVPOFBAF-UHFFFAOYSA-N
XLogP-1.68
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66169661) is 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(=O)N(C)CC(=O)NCC(C)(O)CO.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is JSSJBRLVPOFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(13)11(3)4-8(14)10-5-9(2,15)6-12/h12,15H,4-6H2,1-3H3,(H,10,14).
What are the key properties of 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 218.25 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66169661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).