N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C15H26N2O2 — CID 62713239

IUPACN-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCCC(C)NC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)7-8-17-12-5-4-6-13(17)10-14(18)9-12/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyNXQNBEBNRMSPMU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.88
Rot. Bonds5

About N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 62713239) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
PubChem CID62713239
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCCC(C)NC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)7-8-17-12-5-4-6-13(17)10-14(18)9-12/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyNXQNBEBNRMSPMU-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 62713239) is N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is CCC(C)NC(=O)CCN1C2CCCC1CC(=O)C2.
What is the InChIKey of N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The InChIKey is NXQNBEBNRMSPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)7-8-17-12-5-4-6-13(17)10-14(18)9-12/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 266.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 62713239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).