2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide

C10H19NO2 — CID 18711733

IUPAC2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h6-9H,5H2,1-4H3,(H,11,13)
InChIKeyXUILLFDFGRMXMT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide

2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide (PubChem CID 18711733) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide
PubChem CID18711733
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h6-9H,5H2,1-4H3,(H,11,13)
InChIKeyXUILLFDFGRMXMT-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide (CID 18711733) is 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide is CC(C)CC(C=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The InChIKey is XUILLFDFGRMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h6-9H,5H2,1-4H3,(H,11,13).
What are the key properties of 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide?
2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1-oxopentan-2-yl)propanamide is sourced from PubChem (CID 18711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).