N-(3,5-dioxopentyl)-N-methylbenzamide

C13H15NO3 — CID 10243070

IUPACN-(3,5-dioxopentyl)-N-methylbenzamide
SMILESCN(CCC(=O)CC=O)C(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-14(9-7-12(16)8-10-15)13(17)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUIAIOOWSUHVTEA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds6

About N-(3,5-dioxopentyl)-N-methylbenzamide

N-(3,5-dioxopentyl)-N-methylbenzamide (PubChem CID 10243070) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3,5-dioxopentyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,5-dioxopentyl)-N-methylbenzamide
PubChem CID10243070
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(3,5-dioxopentyl)-N-methylbenzamide
SMILESCN(CCC(=O)CC=O)C(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-14(9-7-12(16)8-10-15)13(17)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUIAIOOWSUHVTEA-UHFFFAOYSA-N
XLogP1.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
N-but-3-ynyl-N-methylbenzamide
CID 10773933
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(2-ethenoxyethyl)-N-methylbenzamide
CID 154204168
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
4-formyl-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530389
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
4-(N-methylanilino)-3-oxobutanal
CID 134923271
CID 102012562
CID 102012562

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxopentyl)-N-methylbenzamide?
The IUPAC name of N-(3,5-dioxopentyl)-N-methylbenzamide (CID 10243070) is N-(3,5-dioxopentyl)-N-methylbenzamide.
What is the SMILES notation for N-(3,5-dioxopentyl)-N-methylbenzamide?
The canonical SMILES for N-(3,5-dioxopentyl)-N-methylbenzamide is CN(CCC(=O)CC=O)C(=O)c1ccccc1.
What is the InChIKey of N-(3,5-dioxopentyl)-N-methylbenzamide?
The InChIKey is UIAIOOWSUHVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(9-7-12(16)8-10-15)13(17)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of N-(3,5-dioxopentyl)-N-methylbenzamide?
N-(3,5-dioxopentyl)-N-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxopentyl)-N-methylbenzamide is sourced from PubChem (CID 10243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).