2,2-diethyl-4-methyl-3-oxopentanamide

C10H19NO2 — CID 3032181

IUPAC2,2-diethyl-4-methyl-3-oxopentanamide
SMILESCCC(CC)(C(N)=O)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-5-10(6-2,9(11)13)8(12)7(3)4/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKeyBUVPQMIKSKSREL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds5

About 2,2-diethyl-4-methyl-3-oxopentanamide

2,2-diethyl-4-methyl-3-oxopentanamide (PubChem CID 3032181) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-diethyl-4-methyl-3-oxopentanamide.

Molecular Properties

Compound Name2,2-diethyl-4-methyl-3-oxopentanamide
PubChem CID3032181
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-diethyl-4-methyl-3-oxopentanamide
SMILESCCC(CC)(C(N)=O)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-5-10(6-2,9(11)13)8(12)7(3)4/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKeyBUVPQMIKSKSREL-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-methyl-3-oxopentanamide?
The IUPAC name of 2,2-diethyl-4-methyl-3-oxopentanamide (CID 3032181) is 2,2-diethyl-4-methyl-3-oxopentanamide.
What is the SMILES notation for 2,2-diethyl-4-methyl-3-oxopentanamide?
The canonical SMILES for 2,2-diethyl-4-methyl-3-oxopentanamide is CCC(CC)(C(N)=O)C(=O)C(C)C.
What is the InChIKey of 2,2-diethyl-4-methyl-3-oxopentanamide?
The InChIKey is BUVPQMIKSKSREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(6-2,9(11)13)8(12)7(3)4/h7H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 2,2-diethyl-4-methyl-3-oxopentanamide?
2,2-diethyl-4-methyl-3-oxopentanamide has a molecular weight of 185.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-methyl-3-oxopentanamide is sourced from PubChem (CID 3032181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).