N-(2-methylpropyl)-2,4-dioxopentanamide

C9H15NO3 — CID 123533018

IUPACN-(2-methylpropyl)-2,4-dioxopentanamide
SMILESCC(=O)CC(=O)C(=O)NCC(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-9(13)8(12)4-7(3)11/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyJJQGNYPVDGMTAA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.31
Rot. Bonds5

About N-(2-methylpropyl)-2,4-dioxopentanamide

N-(2-methylpropyl)-2,4-dioxopentanamide (PubChem CID 123533018) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,4-dioxopentanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,4-dioxopentanamide
PubChem CID123533018
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(2-methylpropyl)-2,4-dioxopentanamide
SMILESCC(=O)CC(=O)C(=O)NCC(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-9(13)8(12)4-7(3)11/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyJJQGNYPVDGMTAA-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
CID 166744253
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
CID 90878864
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
CID 118384417
2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
CID 87120192
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
Lithium pentane-2,4-dione
CID 86735745

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,4-dioxopentanamide?
The IUPAC name of N-(2-methylpropyl)-2,4-dioxopentanamide (CID 123533018) is N-(2-methylpropyl)-2,4-dioxopentanamide.
What is the SMILES notation for N-(2-methylpropyl)-2,4-dioxopentanamide?
The canonical SMILES for N-(2-methylpropyl)-2,4-dioxopentanamide is CC(=O)CC(=O)C(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2,4-dioxopentanamide?
The InChIKey is JJQGNYPVDGMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-10-9(13)8(12)4-7(3)11/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(2-methylpropyl)-2,4-dioxopentanamide?
N-(2-methylpropyl)-2,4-dioxopentanamide has a molecular weight of 185.22 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,4-dioxopentanamide is sourced from PubChem (CID 123533018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).