2-(hexadecanoylamino)hexadecanoic acid

C32H63NO3 — CID 15673743

IUPAC2-(hexadecanoylamino)hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-30(32(35)36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyKCPXMDWDALSPNS-UHFFFAOYSA-N
MW509.86 g/mol
LogP10.13
Rot. Bonds29

About 2-(hexadecanoylamino)hexadecanoic acid

2-(hexadecanoylamino)hexadecanoic acid (PubChem CID 15673743) has the molecular formula C32H63NO3 and a molecular weight of 509.86 g/mol. Its IUPAC name is 2-(hexadecanoylamino)hexadecanoic acid.

Molecular Properties

Compound Name2-(hexadecanoylamino)hexadecanoic acid
PubChem CID15673743
Molecular FormulaC32H63NO3
Molecular Weight509.86 g/mol
Exact Mass509.48
IUPAC Name2-(hexadecanoylamino)hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-30(32(35)36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyKCPXMDWDALSPNS-UHFFFAOYSA-N
XLogP10.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.86
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hexadecanoylamino)hexadecanoic acid 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 2-(hexadecanoylamino)hexadecanoic acid?
The IUPAC name of 2-(hexadecanoylamino)hexadecanoic acid (CID 15673743) is 2-(hexadecanoylamino)hexadecanoic acid.
What is the SMILES notation for 2-(hexadecanoylamino)hexadecanoic acid?
The canonical SMILES for 2-(hexadecanoylamino)hexadecanoic acid is CCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-(hexadecanoylamino)hexadecanoic acid?
The InChIKey is KCPXMDWDALSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-30(32(35)36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H,33,34)(H,35,36).
What are the key properties of 2-(hexadecanoylamino)hexadecanoic acid?
2-(hexadecanoylamino)hexadecanoic acid has a molecular weight of 509.86 g/mol, XLogP of 10.13, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecanoylamino)hexadecanoic acid is sourced from PubChem (CID 15673743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).