N-tert-butyl-2-methylideneoctanamide

C13H25NO — CID 102470870

IUPACN-tert-butyl-2-methylideneoctanamide
SMILESC=C(CCCCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h2,6-10H2,1,3-5H3,(H,14,15)
InChIKeyLYFLLSLSCKJZPG-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds6

About N-tert-butyl-2-methylideneoctanamide

N-tert-butyl-2-methylideneoctanamide (PubChem CID 102470870) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-tert-butyl-2-methylideneoctanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylideneoctanamide
PubChem CID102470870
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-tert-butyl-2-methylideneoctanamide
SMILESC=C(CCCCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h2,6-10H2,1,3-5H3,(H,14,15)
InChIKeyLYFLLSLSCKJZPG-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylcyclopentene-1-carboxamide
CID 15647929
alpha-Nonylacrylamide
CID 13548054
Octylacrylamide
CID 17957570
2-Methylidenedodecanamide
CID 21275879
Dodecylacrylamide
CID 21275882
N,N'-dioctylacrylamide
CID 129834199
2-methylidene-N-propyloctanamide
CID 12142597
N-t-butyl-10-undecenamide
CID 101138268
N-cyclohexyl-2-methylideneoctanamide
CID 102470869
N,N'-didodecylacrylamide
CID 129826508
N,N'-dihexylacrylamide
CID 129834185
N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylideneoctanamide?
The IUPAC name of N-tert-butyl-2-methylideneoctanamide (CID 102470870) is N-tert-butyl-2-methylideneoctanamide.
What is the SMILES notation for N-tert-butyl-2-methylideneoctanamide?
The canonical SMILES for N-tert-butyl-2-methylideneoctanamide is C=C(CCCCCC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylideneoctanamide?
The InChIKey is LYFLLSLSCKJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-9-10-11(2)12(15)14-13(3,4)5/h2,6-10H2,1,3-5H3,(H,14,15).
What are the key properties of N-tert-butyl-2-methylideneoctanamide?
N-tert-butyl-2-methylideneoctanamide has a molecular weight of 211.35 g/mol, XLogP of 3.43, 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-methylideneoctanamide is sourced from PubChem (CID 102470870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).