N-tridecan-6-ylacetamide

C15H31NO — CID 11770595

IUPACN-tridecan-6-ylacetamide
SMILESCCCCCCCC(CCCCC)NC(C)=O
InChIInChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17)
InChIKeyRMTOFKWPCZJSGD-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.43
Rot. Bonds11

About N-tridecan-6-ylacetamide

N-tridecan-6-ylacetamide (PubChem CID 11770595) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-tridecan-6-ylacetamide.

Molecular Properties

Compound NameN-tridecan-6-ylacetamide
PubChem CID11770595
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-tridecan-6-ylacetamide
SMILESCCCCCCCC(CCCCC)NC(C)=O
InChIInChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17)
InChIKeyRMTOFKWPCZJSGD-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tridecan-6-ylacetamide?
The IUPAC name of N-tridecan-6-ylacetamide (CID 11770595) is N-tridecan-6-ylacetamide.
What is the SMILES notation for N-tridecan-6-ylacetamide?
The canonical SMILES for N-tridecan-6-ylacetamide is CCCCCCCC(CCCCC)NC(C)=O.
What is the InChIKey of N-tridecan-6-ylacetamide?
The InChIKey is RMTOFKWPCZJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-tridecan-6-ylacetamide?
N-tridecan-6-ylacetamide has a molecular weight of 241.42 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecan-6-ylacetamide is sourced from PubChem (CID 11770595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).