N-cyclododecyl-2,4-dimethylbenzamide

C21H33NO — CID 19656258

IUPACN-cyclododecyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C21H33NO/c1-17-14-15-20(18(2)16-17)21(23)22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19H,3-13H2,1-2H3,(H,22,23)
InChIKeyKFPKNBHBNKWXRG-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.71
Rot. Bonds2

About N-cyclododecyl-2,4-dimethylbenzamide

N-cyclododecyl-2,4-dimethylbenzamide (PubChem CID 19656258) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N-cyclododecyl-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclododecyl-2,4-dimethylbenzamide
PubChem CID19656258
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN-cyclododecyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C21H33NO/c1-17-14-15-20(18(2)16-17)21(23)22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19H,3-13H2,1-2H3,(H,22,23)
InChIKeyKFPKNBHBNKWXRG-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
N-cycloheptyl-4-hydrazinyl-2-methylbenzamide
CID 113400294
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2,4-dimethylbenzamide?
The IUPAC name of N-cyclododecyl-2,4-dimethylbenzamide (CID 19656258) is N-cyclododecyl-2,4-dimethylbenzamide.
What is the SMILES notation for N-cyclododecyl-2,4-dimethylbenzamide?
The canonical SMILES for N-cyclododecyl-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCCCCCCCCCC2)c(C)c1.
What is the InChIKey of N-cyclododecyl-2,4-dimethylbenzamide?
The InChIKey is KFPKNBHBNKWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-17-14-15-20(18(2)16-17)21(23)22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19H,3-13H2,1-2H3,(H,22,23).
What are the key properties of N-cyclododecyl-2,4-dimethylbenzamide?
N-cyclododecyl-2,4-dimethylbenzamide has a molecular weight of 315.50 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2,4-dimethylbenzamide is sourced from PubChem (CID 19656258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).