2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C13H25NO3 — CID 43793356

IUPAC2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COCCC(C)C)C(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)6-7-17-8-12(16)14-13(10(3)4)11(5)15/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyDRGCQJJHYWZNME-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.78
Rot. Bonds8

About 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 43793356) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID43793356
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COCCC(C)C)C(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)6-7-17-8-12(16)14-13(10(3)4)11(5)15/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyDRGCQJJHYWZNME-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 43793356) is 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)COCCC(C)C)C(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is DRGCQJJHYWZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)6-7-17-8-12(16)14-13(10(3)4)11(5)15/h9-10,13H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 43793356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).