N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide

C20H41NO3 — CID 70692305

IUPACN-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)16-20(24)17(2)21-18(3)22/h17,19-20,23-24H,4-16H2,1-3H3,(H,21,22)/t17-,19-,20-/m0/s1
InChIKeyJBQVXCPCQLIHIG-IHPCNDPISA-N
MW343.55 g/mol
LogP4.32
Rot. Bonds16

About N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide

N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide (PubChem CID 70692305) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide
PubChem CID70692305
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)16-20(24)17(2)21-18(3)22/h17,19-20,23-24H,4-16H2,1-3H3,(H,21,22)/t17-,19-,20-/m0/s1
InChIKeyJBQVXCPCQLIHIG-IHPCNDPISA-N
XLogP4.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-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-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide (CID 70692305) is N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide is CCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide?
The InChIKey is JBQVXCPCQLIHIG-IHPCNDPISA-N. The full InChI is InChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)16-20(24)17(2)21-18(3)22/h17,19-20,23-24H,4-16H2,1-3H3,(H,21,22)/t17-,19-,20-/m0/s1.
What are the key properties of N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide?
N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide has a molecular weight of 343.55 g/mol, XLogP of 4.32, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5S)-3,5-dihydroxyoctadecan-2-yl]acetamide is sourced from PubChem (CID 70692305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).