N-tert-butyl-2-methyloctanamide

C13H27NO — CID 139573276

IUPACN-tert-butyl-2-methyloctanamide
SMILESCCCCCCC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyXCJNTODSMZWBLN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds6

About N-tert-butyl-2-methyloctanamide

N-tert-butyl-2-methyloctanamide (PubChem CID 139573276) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-2-methyloctanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyloctanamide
PubChem CID139573276
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-2-methyloctanamide
SMILESCCCCCCC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyXCJNTODSMZWBLN-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
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-tert-butyl-2-methyloctanamide?
The IUPAC name of N-tert-butyl-2-methyloctanamide (CID 139573276) is N-tert-butyl-2-methyloctanamide.
What is the SMILES notation for N-tert-butyl-2-methyloctanamide?
The canonical SMILES for N-tert-butyl-2-methyloctanamide is CCCCCCC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyloctanamide?
The InChIKey is XCJNTODSMZWBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-2-methyloctanamide?
N-tert-butyl-2-methyloctanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyloctanamide is sourced from PubChem (CID 139573276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).