N-tert-butyl-2-hydroxypentadecanamide

C19H39NO2 — CID 59659879

IUPACN-tert-butyl-2-hydroxypentadecanamide
SMILESCCCCCCCCCCCCCC(O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(22)20-19(2,3)4/h17,21H,5-16H2,1-4H3,(H,20,22)
InChIKeyLBKXIYISMJEULQ-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.96
Rot. Bonds13

About N-tert-butyl-2-hydroxypentadecanamide

N-tert-butyl-2-hydroxypentadecanamide (PubChem CID 59659879) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxypentadecanamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxypentadecanamide
PubChem CID59659879
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC NameN-tert-butyl-2-hydroxypentadecanamide
SMILESCCCCCCCCCCCCCC(O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(22)20-19(2,3)4/h17,21H,5-16H2,1-4H3,(H,20,22)
InChIKeyLBKXIYISMJEULQ-UHFFFAOYSA-N
XLogP4.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-hydroxypentadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxypentadecanamide?
The IUPAC name of N-tert-butyl-2-hydroxypentadecanamide (CID 59659879) is N-tert-butyl-2-hydroxypentadecanamide.
What is the SMILES notation for N-tert-butyl-2-hydroxypentadecanamide?
The canonical SMILES for N-tert-butyl-2-hydroxypentadecanamide is CCCCCCCCCCCCCC(O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-hydroxypentadecanamide?
The InChIKey is LBKXIYISMJEULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(22)20-19(2,3)4/h17,21H,5-16H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-hydroxypentadecanamide?
N-tert-butyl-2-hydroxypentadecanamide has a molecular weight of 313.53 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxypentadecanamide is sourced from PubChem (CID 59659879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).