N-tert-butylhexadecanamide

C20H41NO — CID 13213787

IUPACN-tert-butylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyPWSZYBZCNJXAJV-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.38
Rot. Bonds14

About N-tert-butylhexadecanamide

N-tert-butylhexadecanamide (PubChem CID 13213787) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-tert-butylhexadecanamide.

Molecular Properties

Compound NameN-tert-butylhexadecanamide
PubChem CID13213787
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-tert-butylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyPWSZYBZCNJXAJV-UHFFFAOYSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.38
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-tert-butylhexadecanamide?
The IUPAC name of N-tert-butylhexadecanamide (CID 13213787) is N-tert-butylhexadecanamide.
What is the SMILES notation for N-tert-butylhexadecanamide?
The canonical SMILES for N-tert-butylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylhexadecanamide?
The InChIKey is PWSZYBZCNJXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21-20(2,3)4/h5-18H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butylhexadecanamide?
N-tert-butylhexadecanamide has a molecular weight of 311.55 g/mol, XLogP of 6.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylhexadecanamide is sourced from PubChem (CID 13213787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).