N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide

C26H45NO — CID 14276074

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H45NO/c1-8-9-10-11-12-13-14-15-19-26(6,7)25(28)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,8-15,19H2,1-7H3,(H,27,28)
InChIKeyWABKFWFSIUGIOD-UHFFFAOYSA-N
MW387.65 g/mol
LogP8.43
Rot. Bonds13

About N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide

N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide (PubChem CID 14276074) has the molecular formula C26H45NO and a molecular weight of 387.65 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide
PubChem CID14276074
Molecular FormulaC26H45NO
Molecular Weight387.65 g/mol
Exact Mass387.35
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H45NO/c1-8-9-10-11-12-13-14-15-19-26(6,7)25(28)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,8-15,19H2,1-7H3,(H,27,28)
InChIKeyWABKFWFSIUGIOD-UHFFFAOYSA-N
XLogP8.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.65
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide (CID 14276074) is N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide?
The InChIKey is WABKFWFSIUGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO/c1-8-9-10-11-12-13-14-15-19-26(6,7)25(28)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,8-15,19H2,1-7H3,(H,27,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide?
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide has a molecular weight of 387.65 g/mol, XLogP of 8.43, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyldodecanamide is sourced from PubChem (CID 14276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).