N-hexadecanoylhexadecanamide;2-(propylamino)ethanol

C37H76N2O3 — CID 175405051

IUPACN-hexadecanoylhexadecanamide;2-(propylamino)ethanol
SMILESCCCCCCCCCCCCCCCC(=O)NC(=O)CCCCCCCCCCCCCCC.CCCNCCO
InChIInChI=1S/C32H63NO2.C5H13NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-6-4-5-7/h3-30H2,1-2H3,(H,33,34,35);6-7H,2-5H2,1H3
InChIKeyYDJLSKDGGVTRJA-UHFFFAOYSA-N
MW597.03 g/mol
LogP10.57
Rot. Bonds32

About N-hexadecanoylhexadecanamide;2-(propylamino)ethanol

N-hexadecanoylhexadecanamide;2-(propylamino)ethanol (PubChem CID 175405051) has the molecular formula C37H76N2O3 and a molecular weight of 597.03 g/mol. Its IUPAC name is N-hexadecanoylhexadecanamide;2-(propylamino)ethanol.

Molecular Properties

Compound NameN-hexadecanoylhexadecanamide;2-(propylamino)ethanol
PubChem CID175405051
Molecular FormulaC37H76N2O3
Molecular Weight597.03 g/mol
Exact Mass596.59
IUPAC NameN-hexadecanoylhexadecanamide;2-(propylamino)ethanol
SMILESCCCCCCCCCCCCCCCC(=O)NC(=O)CCCCCCCCCCCCCCC.CCCNCCO
InChIInChI=1S/C32H63NO2.C5H13NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-6-4-5-7/h3-30H2,1-2H3,(H,33,34,35);6-7H,2-5H2,1H3
InChIKeyYDJLSKDGGVTRJA-UHFFFAOYSA-N
XLogP10.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.03
LogP ≤ 510.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexadecanoylhexadecanamide;2-(propylamino)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

N-decanoyldecanamide
CID 87914075
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-[3-(2-hydroxyethylamino)propyl]docosanamide
CID 87068513
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
N-octanoyloctanamide;hydrobromide
CID 175059894
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
CID 162065601
N-[3-(dimethylamino)propanoyl]octadecanamide
CID 88681823
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032

Frequently Asked Questions

What is the IUPAC name of N-hexadecanoylhexadecanamide;2-(propylamino)ethanol?
The IUPAC name of N-hexadecanoylhexadecanamide;2-(propylamino)ethanol (CID 175405051) is N-hexadecanoylhexadecanamide;2-(propylamino)ethanol.
What is the SMILES notation for N-hexadecanoylhexadecanamide;2-(propylamino)ethanol?
The canonical SMILES for N-hexadecanoylhexadecanamide;2-(propylamino)ethanol is CCCCCCCCCCCCCCCC(=O)NC(=O)CCCCCCCCCCCCCCC.CCCNCCO.
What is the InChIKey of N-hexadecanoylhexadecanamide;2-(propylamino)ethanol?
The InChIKey is YDJLSKDGGVTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO2.C5H13NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-6-4-5-7/h3-30H2,1-2H3,(H,33,34,35);6-7H,2-5H2,1H3.
What are the key properties of N-hexadecanoylhexadecanamide;2-(propylamino)ethanol?
N-hexadecanoylhexadecanamide;2-(propylamino)ethanol has a molecular weight of 597.03 g/mol, XLogP of 10.57, 32 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecanoylhexadecanamide;2-(propylamino)ethanol is sourced from PubChem (CID 175405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).