N-(2-hydroxyethyl)-2-methylpentacos-2-enamide

C28H55NO2 — CID 89405987

IUPACN-(2-hydroxyethyl)-2-methylpentacos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)NCCO
InChIInChI=1S/C28H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2)28(31)29-25-26-30/h24,30H,3-23,25-26H2,1-2H3,(H,29,31)
InChIKeyDZMQCQVHLDALDT-UHFFFAOYSA-N
MW437.75 g/mol
LogP8.25
Rot. Bonds24

About N-(2-hydroxyethyl)-2-methylpentacos-2-enamide

N-(2-hydroxyethyl)-2-methylpentacos-2-enamide (PubChem CID 89405987) has the molecular formula C28H55NO2 and a molecular weight of 437.75 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylpentacos-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylpentacos-2-enamide
PubChem CID89405987
Molecular FormulaC28H55NO2
Molecular Weight437.75 g/mol
Exact Mass437.42
IUPAC NameN-(2-hydroxyethyl)-2-methylpentacos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)NCCO
InChIInChI=1S/C28H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2)28(31)29-25-26-30/h24,30H,3-23,25-26H2,1-2H3,(H,29,31)
InChIKeyDZMQCQVHLDALDT-UHFFFAOYSA-N
XLogP8.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-2-methylpentacos-2-enamide 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-(2-hydroxyethyl)-2-methylpentacos-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylpentacos-2-enamide (CID 89405987) is N-(2-hydroxyethyl)-2-methylpentacos-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylpentacos-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylpentacos-2-enamide is CCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylpentacos-2-enamide?
The InChIKey is DZMQCQVHLDALDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2)28(31)29-25-26-30/h24,30H,3-23,25-26H2,1-2H3,(H,29,31).
What are the key properties of N-(2-hydroxyethyl)-2-methylpentacos-2-enamide?
N-(2-hydroxyethyl)-2-methylpentacos-2-enamide has a molecular weight of 437.75 g/mol, XLogP of 8.25, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylpentacos-2-enamide is sourced from PubChem (CID 89405987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).