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

C10H18N2O2 — CID 115667406

IUPACN-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCCNC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-6-8-3-4-9(7-12)14-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyCUOKWEDGCQTWCU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds2

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

N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 115667406) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID115667406
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCCNC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-6-8-3-4-9(7-12)14-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyCUOKWEDGCQTWCU-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

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Related Compounds

N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
Methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 47392783
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
1-Ethyl-3-(3-fluoropropyl)-1-(oxolan-2-ylmethyl)urea
CID 86817999
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615634
1-ethyl-3-(3-fluoropropyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615636
N-(2,2,2-trifluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 115667108
4-(2-fluoroethyl)-N-((tetrahydrofuran-2-yl)methyl)piperazine-1-carboxamide
CID 119104743
4,4-difluoro-N-((tetrahydrofuran-2-yl)methyl)piperidine-1-carboxamide
CID 121184666
4-(2-fluoroethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 129491160
4-(2-fluoroethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 129491161

Frequently Asked Questions

What is the IUPAC name of N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 115667406) is N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is CCCNC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is CUOKWEDGCQTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-5-11-10(13)12-6-8-3-4-9(7-12)14-8/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide?
N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-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-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 115667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).