N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C10H18N2O2 — CID 164650614

IUPACN-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-8-3-4-9(12)7-14-6-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyDBQYHQANNHHADS-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds2

About N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 164650614) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID164650614
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-8-3-4-9(12)7-14-6-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyDBQYHQANNHHADS-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 164650614) is N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is CCCNC(=O)N1C2CCC1COC2.
What is the InChIKey of N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is DBQYHQANNHHADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-8-3-4-9(12)7-14-6-8/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 164650614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).