N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide

C10H19NO2 — CID 59539136

IUPACN-(2,4-dimethyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(12)11-10(4,5)9(13)7(2)3/h7H,6H2,1-5H3,(H,11,12)
InChIKeyVKXYDJBTWMEBCE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds4

About N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide

N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide (PubChem CID 59539136) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxopentan-2-yl)propanamide
PubChem CID59539136
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2,4-dimethyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(12)11-10(4,5)9(13)7(2)3/h7H,6H2,1-5H3,(H,11,12)
InChIKeyVKXYDJBTWMEBCE-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide?
The IUPAC name of N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide (CID 59539136) is N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide is CCC(=O)NC(C)(C)C(=O)C(C)C.
What is the InChIKey of N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide?
The InChIKey is VKXYDJBTWMEBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(12)11-10(4,5)9(13)7(2)3/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide?
N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 59539136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).