2-formyl-N-heptyl-N-methylbenzamide

C16H23NO2 — CID 144774360

IUPAC2-formyl-N-heptyl-N-methylbenzamide
SMILESCCCCCCCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-9-12-17(2)16(19)15-11-8-7-10-14(15)13-18/h7-8,10-11,13H,3-6,9,12H2,1-2H3
InChIKeyYATOISLCUSVLIX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.54
Rot. Bonds8

About 2-formyl-N-heptyl-N-methylbenzamide

2-formyl-N-heptyl-N-methylbenzamide (PubChem CID 144774360) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-formyl-N-heptyl-N-methylbenzamide.

Molecular Properties

Compound Name2-formyl-N-heptyl-N-methylbenzamide
PubChem CID144774360
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-formyl-N-heptyl-N-methylbenzamide
SMILESCCCCCCCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-9-12-17(2)16(19)15-11-8-7-10-14(15)13-18/h7-8,10-11,13H,3-6,9,12H2,1-2H3
InChIKeyYATOISLCUSVLIX-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
CID 170966342
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
CID 139304498
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
ethyl-[[4-[[2-[(2-formylbenzoyl)-methylamino]ethyl-dimethylazaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 165403293
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
CID 142462979
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773193
(Z)-but-2-ene;N-(3-chloro-2-hydroxypropyl)-2-formyl-N-methylbenzamide;propane
CID 143985176
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-heptyl-N-methylbenzamide?
The IUPAC name of 2-formyl-N-heptyl-N-methylbenzamide (CID 144774360) is 2-formyl-N-heptyl-N-methylbenzamide.
What is the SMILES notation for 2-formyl-N-heptyl-N-methylbenzamide?
The canonical SMILES for 2-formyl-N-heptyl-N-methylbenzamide is CCCCCCCN(C)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-heptyl-N-methylbenzamide?
The InChIKey is YATOISLCUSVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-5-6-9-12-17(2)16(19)15-11-8-7-10-14(15)13-18/h7-8,10-11,13H,3-6,9,12H2,1-2H3.
What are the key properties of 2-formyl-N-heptyl-N-methylbenzamide?
2-formyl-N-heptyl-N-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-heptyl-N-methylbenzamide is sourced from PubChem (CID 144774360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).