N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide

C23H45NO3 — CID 11292035

IUPACN-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1
InChIKeyNSOQQZAUFCNZHQ-GWGOZDFZSA-N
MW383.62 g/mol
LogP5.27
Rot. Bonds19

About N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide

N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide (PubChem CID 11292035) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide
PubChem CID11292035
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC NameN-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1
InChIKeyNSOQQZAUFCNZHQ-GWGOZDFZSA-N
XLogP5.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide 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-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide?
The IUPAC name of N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide (CID 11292035) is N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide is CCCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide?
The InChIKey is NSOQQZAUFCNZHQ-GWGOZDFZSA-N. The full InChI is InChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1.
What are the key properties of N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide?
N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide has a molecular weight of 383.62 g/mol, XLogP of 5.27, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R,3S)-1,3-dihydroxyhenicos-4-en-2-yl]acetamide is sourced from PubChem (CID 11292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).