N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide

C13H24N2O2 — CID 80719346

IUPACN-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-8(2)7-14-13(16)9(3)15-11-6-10-4-5-12(11)17-10/h8-12,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyARKQOHIRFPIWQH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds5

About N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide

N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide (PubChem CID 80719346) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide
PubChem CID80719346
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-8(2)7-14-13(16)9(3)15-11-6-10-4-5-12(11)17-10/h8-12,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyARKQOHIRFPIWQH-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide (CID 80719346) is N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide is CC(C)CNC(=O)C(C)NC1CC2CCC1O2.
What is the InChIKey of N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide?
The InChIKey is ARKQOHIRFPIWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8(2)7-14-13(16)9(3)15-11-6-10-4-5-12(11)17-10/h8-12,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide?
N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide is sourced from PubChem (CID 80719346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).