12-azido-N-benzyldodecanamide

C19H30N4O — CID 19611794

IUPAC12-azido-N-benzyldodecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C19H30N4O/c20-23-22-16-12-7-5-3-1-2-4-6-11-15-19(24)21-17-18-13-9-8-10-14-18/h8-10,13-14H,1-7,11-12,15-17H2,(H,21,24)
InChIKeyWPYVJWIAIDYFCS-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.51
Rot. Bonds14

About 12-azido-N-benzyldodecanamide

12-azido-N-benzyldodecanamide (PubChem CID 19611794) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 12-azido-N-benzyldodecanamide.

Molecular Properties

Compound Name12-azido-N-benzyldodecanamide
PubChem CID19611794
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name12-azido-N-benzyldodecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C19H30N4O/c20-23-22-16-12-7-5-3-1-2-4-6-11-15-19(24)21-17-18-13-9-8-10-14-18/h8-10,13-14H,1-7,11-12,15-17H2,(H,21,24)
InChIKeyWPYVJWIAIDYFCS-UHFFFAOYSA-N
XLogP5.51
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-azido-N-benzyldodecanamide?
The IUPAC name of 12-azido-N-benzyldodecanamide (CID 19611794) is 12-azido-N-benzyldodecanamide.
What is the SMILES notation for 12-azido-N-benzyldodecanamide?
The canonical SMILES for 12-azido-N-benzyldodecanamide is [N-]=[N+]=NCCCCCCCCCCCC(=O)NCc1ccccc1.
What is the InChIKey of 12-azido-N-benzyldodecanamide?
The InChIKey is WPYVJWIAIDYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c20-23-22-16-12-7-5-3-1-2-4-6-11-15-19(24)21-17-18-13-9-8-10-14-18/h8-10,13-14H,1-7,11-12,15-17H2,(H,21,24).
What are the key properties of 12-azido-N-benzyldodecanamide?
12-azido-N-benzyldodecanamide has a molecular weight of 330.48 g/mol, XLogP of 5.51, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azido-N-benzyldodecanamide is sourced from PubChem (CID 19611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).