N-(4-oxopentyl)benzamide

C12H15NO2 — CID 10798281

IUPACN-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(14)6-5-9-13-12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H,13,15)
InChIKeyMUZRMPFCSQHAGF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds5

About N-(4-oxopentyl)benzamide

N-(4-oxopentyl)benzamide (PubChem CID 10798281) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-oxopentyl)benzamide.

Molecular Properties

Compound NameN-(4-oxopentyl)benzamide
PubChem CID10798281
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(14)6-5-9-13-12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H,13,15)
InChIKeyMUZRMPFCSQHAGF-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
methyl 4-benzamidobutanoate
CID 13197711
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
trimethylsilyl 4-benzamidobutanoate
CID 10802651
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443

Frequently Asked Questions

What is the IUPAC name of N-(4-oxopentyl)benzamide?
The IUPAC name of N-(4-oxopentyl)benzamide (CID 10798281) is N-(4-oxopentyl)benzamide.
What is the SMILES notation for N-(4-oxopentyl)benzamide?
The canonical SMILES for N-(4-oxopentyl)benzamide is CC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-(4-oxopentyl)benzamide?
The InChIKey is MUZRMPFCSQHAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(14)6-5-9-13-12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H,13,15).
What are the key properties of N-(4-oxopentyl)benzamide?
N-(4-oxopentyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopentyl)benzamide is sourced from PubChem (CID 10798281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).