8-methyl-4,7-dioxo-N-propan-2-ylnonanamide

C13H23NO3 — CID 157173964

IUPAC8-methyl-4,7-dioxo-N-propan-2-ylnonanamide
SMILESCC(C)NC(=O)CCC(=O)CCC(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)12(16)7-5-11(15)6-8-13(17)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyGVGPPPUBKOWIFY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.87
Rot. Bonds8

About 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide

8-methyl-4,7-dioxo-N-propan-2-ylnonanamide (PubChem CID 157173964) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide.

Molecular Properties

Compound Name8-methyl-4,7-dioxo-N-propan-2-ylnonanamide
PubChem CID157173964
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name8-methyl-4,7-dioxo-N-propan-2-ylnonanamide
SMILESCC(C)NC(=O)CCC(=O)CCC(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)12(16)7-5-11(15)6-8-13(17)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyGVGPPPUBKOWIFY-UHFFFAOYSA-N
XLogP1.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N',N',5-trimethyl-4-oxohexanehydrazide
CID 59531474
ethane;N-propan-2-ylbutanamide
CID 169175258
N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
CID 157115895
6-bromo-2-methylhexan-3-one
CID 12643721
5-methyl-N-[(4S)-2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]-4-oxohexanamide
CID 177095418
N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide
CID 167695347
4-oxo-N-propan-2-ylbutanamide
CID 87543114
2-(4-methyl-3-oxopentyl)sulfanyl-N,N'-di(propan-2-yl)butanediamide
CID 167448082
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide?
The IUPAC name of 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide (CID 157173964) is 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide.
What is the SMILES notation for 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide?
The canonical SMILES for 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide is CC(C)NC(=O)CCC(=O)CCC(=O)C(C)C.
What is the InChIKey of 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide?
The InChIKey is GVGPPPUBKOWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)12(16)7-5-11(15)6-8-13(17)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide?
8-methyl-4,7-dioxo-N-propan-2-ylnonanamide has a molecular weight of 241.33 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,7-dioxo-N-propan-2-ylnonanamide is sourced from PubChem (CID 157173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).