N-(2-methylphenyl)-3-oxododecanamide

C19H29NO2 — CID 25129600

IUPACN-(2-methylphenyl)-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-17(21)15-19(22)20-18-14-11-10-12-16(18)2/h10-12,14H,3-9,13,15H2,1-2H3,(H,20,22)
InChIKeyBJKTWVHGZYWWNG-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.03
Rot. Bonds11

About N-(2-methylphenyl)-3-oxododecanamide

N-(2-methylphenyl)-3-oxododecanamide (PubChem CID 25129600) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-oxododecanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-oxododecanamide
PubChem CID25129600
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(2-methylphenyl)-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-17(21)15-19(22)20-18-14-11-10-12-16(18)2/h10-12,14H,3-9,13,15H2,1-2H3,(H,20,22)
InChIKeyBJKTWVHGZYWWNG-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylphenyl)heptanehydrazide
CID 11955771
N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2-methylphenyl)-8-[(1R,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]octanamide
CID 22814521
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
CID 4572466
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-aminophenyl)octadecanamide
CID 68839220

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-oxododecanamide?
The IUPAC name of N-(2-methylphenyl)-3-oxododecanamide (CID 25129600) is N-(2-methylphenyl)-3-oxododecanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-oxododecanamide?
The canonical SMILES for N-(2-methylphenyl)-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-3-oxododecanamide?
The InChIKey is BJKTWVHGZYWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-17(21)15-19(22)20-18-14-11-10-12-16(18)2/h10-12,14H,3-9,13,15H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-3-oxododecanamide?
N-(2-methylphenyl)-3-oxododecanamide has a molecular weight of 303.45 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-oxododecanamide is sourced from PubChem (CID 25129600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).