N-[(3S)-2-oxooxolan-3-yl]hexadecanamide

C20H37NO3 — CID 11609787

IUPACN-[(3S)-2-oxooxolan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h18H,2-17H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyQJIXVOQAEZMUIH-SFHVURJKSA-N
MW339.52 g/mol
LogP4.90
Rot. Bonds15

About N-[(3S)-2-oxooxolan-3-yl]hexadecanamide

N-[(3S)-2-oxooxolan-3-yl]hexadecanamide (PubChem CID 11609787) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]hexadecanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]hexadecanamide
PubChem CID11609787
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h18H,2-17H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyQJIXVOQAEZMUIH-SFHVURJKSA-N
XLogP4.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3S)-2-oxooxolan-3-yl]hexadecanamide 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-3-Oxo-Dodecanoyl-L-Homoserine Lactone
CID 3246941
N-dodecanoyl-L-Homoserine lactone
CID 10221437
N-(beta-Oxooctan-1-oyl)homoserine lactone
CID 127293
N-(3-Oxotetradecanoyl)-L-homoserine lactone
CID 9883786
N-(2-Oxotetrahydrofuran-3-YL)octanamide
CID 6914579
N-((3S)-2-oxooxolan-3-yl)decanamide
CID 10131281
N-(3-oxodecanoyl)-L-homoserine lactone
CID 10221060
N-Heptanoylhomoserine lactone
CID 443437
N-Hexanoyl-L-Homoserine lactone
CID 10058590
3-oxo-N-(tetrahydro-2-oxo-3-furanyl)dodecanamide
CID 127864
N-nonanoyl-L-Homoserine lactone
CID 56662027
Hexadecanoylamino-acetic acid methyl ester
CID 10471679

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]hexadecanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]hexadecanamide (CID 11609787) is N-[(3S)-2-oxooxolan-3-yl]hexadecanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]hexadecanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]hexadecanamide?
The InChIKey is QJIXVOQAEZMUIH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h18H,2-17H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]hexadecanamide?
N-[(3S)-2-oxooxolan-3-yl]hexadecanamide has a molecular weight of 339.52 g/mol, XLogP of 4.90, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]hexadecanamide is sourced from PubChem (CID 11609787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).