N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

C16H29N3O2 — CID 66210570

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C16H29N3O2/c1-9-6-7-10(2)19(9)11(3)16(20)18-14-13(17)12-5-4-8-21-15(12)14/h9-15H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyCAQGLWAMFLAFPS-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.87
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 66210570) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID66210570
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C16H29N3O2/c1-9-6-7-10(2)19(9)11(3)16(20)18-14-13(17)12-5-4-8-21-15(12)14/h9-15H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyCAQGLWAMFLAFPS-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 66210570) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is CC1CCC(C)N1C(C)C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is CAQGLWAMFLAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-9-6-7-10(2)19(9)11(3)16(20)18-14-13(17)12-5-4-8-21-15(12)14/h9-15H,4-8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 295.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 66210570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).