12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide

C19H38N2O2 — CID 21138355

IUPAC12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide
SMILESCCC(C)(C)C(=O)NCCCCCCCCCCCC(=O)NC
InChIInChI=1S/C19H38N2O2/c1-5-19(2,3)18(23)21-16-14-12-10-8-6-7-9-11-13-15-17(22)20-4/h5-16H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPTZMFMGFYSJPGH-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.19
Rot. Bonds14

About 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide

12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide (PubChem CID 21138355) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide.

Molecular Properties

Compound Name12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide
PubChem CID21138355
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide
SMILESCCC(C)(C)C(=O)NCCCCCCCCCCCC(=O)NC
InChIInChI=1S/C19H38N2O2/c1-5-19(2,3)18(23)21-16-14-12-10-8-6-7-9-11-13-15-17(22)20-4/h5-16H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPTZMFMGFYSJPGH-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide?
The IUPAC name of 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide (CID 21138355) is 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide.
What is the SMILES notation for 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide?
The canonical SMILES for 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide is CCC(C)(C)C(=O)NCCCCCCCCCCCC(=O)NC.
What is the InChIKey of 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide?
The InChIKey is PTZMFMGFYSJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-5-19(2,3)18(23)21-16-14-12-10-8-6-7-9-11-13-15-17(22)20-4/h5-16H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide?
12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide has a molecular weight of 326.53 g/mol, XLogP of 4.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide is sourced from PubChem (CID 21138355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).