14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide

C18H30N4O4 — CID 72701815

IUPAC14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H30N4O4/c19-22-20-12-9-7-5-3-1-2-4-6-8-10-15(23)14-17(24)21-16-11-13-26-18(16)25/h16H,1-14H2,(H,21,24)/t16-/m0/s1
InChIKeyZVAIKKZDLCZGFK-INIZCTEOSA-N
MW366.46 g/mol
LogP3.59
Rot. Bonds15

About 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide

14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide (PubChem CID 72701815) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide.

Molecular Properties

Compound Name14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
PubChem CID72701815
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H30N4O4/c19-22-20-12-9-7-5-3-1-2-4-6-8-10-15(23)14-17(24)21-16-11-13-26-18(16)25/h16H,1-14H2,(H,21,24)/t16-/m0/s1
InChIKeyZVAIKKZDLCZGFK-INIZCTEOSA-N
XLogP3.59
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide 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 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
The IUPAC name of 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide (CID 72701815) is 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide.
What is the SMILES notation for 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
The canonical SMILES for 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide is [N-]=[N+]=NCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
The InChIKey is ZVAIKKZDLCZGFK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O4/c19-22-20-12-9-7-5-3-1-2-4-6-8-10-15(23)14-17(24)21-16-11-13-26-18(16)25/h16H,1-14H2,(H,21,24)/t16-/m0/s1.
What are the key properties of 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide has a molecular weight of 366.46 g/mol, XLogP of 3.59, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide is sourced from PubChem (CID 72701815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).