4-methyl-N-(4-oxopentyl)benzamide

C13H17NO2 — CID 86117000

IUPAC4-methyl-N-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPVAXUOGOAOEAOA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds5

About 4-methyl-N-(4-oxopentyl)benzamide

4-methyl-N-(4-oxopentyl)benzamide (PubChem CID 86117000) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methyl-N-(4-oxopentyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxopentyl)benzamide
PubChem CID86117000
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methyl-N-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPVAXUOGOAOEAOA-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
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

N-(4-oxopentyl)benzamide
CID 10798281
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-N-[13-(methylamino)-6-oxotridecyl]-1-N-(6-oxoheptyl)benzene-1,4-dicarboxamide
CID 153153765
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxopentyl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxopentyl)benzamide (CID 86117000) is 4-methyl-N-(4-oxopentyl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxopentyl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxopentyl)benzamide is CC(=O)CCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-oxopentyl)benzamide?
The InChIKey is PVAXUOGOAOEAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-N-(4-oxopentyl)benzamide?
4-methyl-N-(4-oxopentyl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxopentyl)benzamide is sourced from PubChem (CID 86117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).