N-tert-butyloctanamide

C12H25NO — CID 4672417

IUPACN-tert-butyloctanamide
SMILESCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-8-9-10-11(14)13-12(2,3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeyBWGAFILDRDCLBT-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.26
Rot. Bonds6

About N-tert-butyloctanamide

N-tert-butyloctanamide (PubChem CID 4672417) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-tert-butyloctanamide.

Molecular Properties

Compound NameN-tert-butyloctanamide
PubChem CID4672417
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-tert-butyloctanamide
SMILESCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-8-9-10-11(14)13-12(2,3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeyBWGAFILDRDCLBT-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.26
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-butyloctanamide?
The IUPAC name of N-tert-butyloctanamide (CID 4672417) is N-tert-butyloctanamide.
What is the SMILES notation for N-tert-butyloctanamide?
The canonical SMILES for N-tert-butyloctanamide is CCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyloctanamide?
The InChIKey is BWGAFILDRDCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-8-9-10-11(14)13-12(2,3)4/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-tert-butyloctanamide?
N-tert-butyloctanamide has a molecular weight of 199.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyloctanamide is sourced from PubChem (CID 4672417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).