N-oxidotetradecanamide

C14H28NO2- — CID 23094369

IUPACN-oxidotetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[O-]
InChIInChI=1S/C14H28NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3,(H-,15,16,17)/q-1
InChIKeyRXPCCKQPXZRJGI-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.30
Rot. Bonds12

About N-oxidotetradecanamide

N-oxidotetradecanamide (PubChem CID 23094369) has the molecular formula C14H28NO2- and a molecular weight of 242.38 g/mol. Its IUPAC name is N-oxidotetradecanamide.

Molecular Properties

Compound NameN-oxidotetradecanamide
PubChem CID23094369
Molecular FormulaC14H28NO2-
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC NameN-oxidotetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[O-]
InChIInChI=1S/C14H28NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3,(H-,15,16,17)/q-1
InChIKeyRXPCCKQPXZRJGI-UHFFFAOYSA-N
XLogP4.30
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-oxidotetradecanamide?
The IUPAC name of N-oxidotetradecanamide (CID 23094369) is N-oxidotetradecanamide.
What is the SMILES notation for N-oxidotetradecanamide?
The canonical SMILES for N-oxidotetradecanamide is CCCCCCCCCCCCCC(=O)N[O-].
What is the InChIKey of N-oxidotetradecanamide?
The InChIKey is RXPCCKQPXZRJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3,(H-,15,16,17)/q-1.
What are the key properties of N-oxidotetradecanamide?
N-oxidotetradecanamide has a molecular weight of 242.38 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidotetradecanamide is sourced from PubChem (CID 23094369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).