2-formyl-N-methyl-N-(6-oxohexyl)benzamide

C15H19NO3 — CID 129170958

IUPAC2-formyl-N-methyl-N-(6-oxohexyl)benzamide
SMILESCN(CCCCCC=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H19NO3/c1-16(10-6-2-3-7-11-17)15(19)14-9-5-4-8-13(14)12-18/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyVZPJTWXCMKIEKF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds8

About 2-formyl-N-methyl-N-(6-oxohexyl)benzamide

2-formyl-N-methyl-N-(6-oxohexyl)benzamide (PubChem CID 129170958) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-(6-oxohexyl)benzamide.

Molecular Properties

Compound Name2-formyl-N-methyl-N-(6-oxohexyl)benzamide
PubChem CID129170958
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-formyl-N-methyl-N-(6-oxohexyl)benzamide
SMILESCN(CCCCCC=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H19NO3/c1-16(10-6-2-3-7-11-17)15(19)14-9-5-4-8-13(14)12-18/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyVZPJTWXCMKIEKF-UHFFFAOYSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 4284
CID 4284
CID 11074
CID 11074
CID 15542
CID 15542
CID 75945
CID 75945
CID 4223812
CID 4223812
CID 67535
CID 67535
CID 73812
CID 73812
CID 11916
CID 11916
CID 21120
CID 21120
CID 75946
CID 75946
CID 66526
CID 66526
CID 208220
CID 208220

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-(6-oxohexyl)benzamide?
The IUPAC name of 2-formyl-N-methyl-N-(6-oxohexyl)benzamide (CID 129170958) is 2-formyl-N-methyl-N-(6-oxohexyl)benzamide.
What is the SMILES notation for 2-formyl-N-methyl-N-(6-oxohexyl)benzamide?
The canonical SMILES for 2-formyl-N-methyl-N-(6-oxohexyl)benzamide is CN(CCCCCC=O)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-methyl-N-(6-oxohexyl)benzamide?
The InChIKey is VZPJTWXCMKIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(10-6-2-3-7-11-17)15(19)14-9-5-4-8-13(14)12-18/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-formyl-N-methyl-N-(6-oxohexyl)benzamide?
2-formyl-N-methyl-N-(6-oxohexyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methyl-N-(6-oxohexyl)benzamide is sourced from PubChem (CID 129170958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).