6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide

C13H26N4O2 — CID 162769158

IUPAC6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N/C(N)=N/C(C)(C)C
InChIInChI=1S/C13H26N4O2/c1-10(18)15-9-7-5-6-8-11(19)16-12(14)17-13(2,3)4/h5-9H2,1-4H3,(H,15,18)(H3,14,16,17,19)
InChIKeyLAZABJZXWMDZOM-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.91
Rot. Bonds6

About 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide

6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide (PubChem CID 162769158) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide
PubChem CID162769158
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N/C(N)=N/C(C)(C)C
InChIInChI=1S/C13H26N4O2/c1-10(18)15-9-7-5-6-8-11(19)16-12(14)17-13(2,3)4/h5-9H2,1-4H3,(H,15,18)(H3,14,16,17,19)
InChIKeyLAZABJZXWMDZOM-UHFFFAOYSA-N
XLogP0.91
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide?
The IUPAC name of 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide (CID 162769158) is 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide is CC(=O)NCCCCCC(=O)N/C(N)=N/C(C)(C)C.
What is the InChIKey of 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide?
The InChIKey is LAZABJZXWMDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(18)15-9-7-5-6-8-11(19)16-12(14)17-13(2,3)4/h5-9H2,1-4H3,(H,15,18)(H3,14,16,17,19).
What are the key properties of 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide?
6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide has a molecular weight of 270.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide is sourced from PubChem (CID 162769158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).