ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide

C10H20N2O2 — CID 164555528

IUPACethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
SMILESCC.CCNC(=O)N1CC2CC(C1)O2
InChIInChI=1S/C8H14N2O2.C2H6/c1-2-9-8(11)10-4-6-3-7(5-10)12-6;1-2/h6-7H,2-5H2,1H3,(H,9,11);1-2H3
InChIKeyRXCNXBASSDKFOY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds1

About ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide

ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide (PubChem CID 164555528) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
PubChem CID164555528
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
SMILESCC.CCNC(=O)N1CC2CC(C1)O2
InChIInChI=1S/C8H14N2O2.C2H6/c1-2-9-8(11)10-4-6-3-7(5-10)12-6;1-2/h6-7H,2-5H2,1H3,(H,9,11);1-2H3
InChIKeyRXCNXBASSDKFOY-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethylazetidine-1-carboxamide
CID 63766743
(3aS,6aR)-N-ethyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126591279
N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
CID 167135352
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide
CID 71908828
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)butanoic acid
CID 80541178
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
CID 110197187
2-[2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)ethoxy]acetic acid
CID 79463861
N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 45110665
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
N-ethylpiperazine-1-carboxamide
CID 9207783

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The IUPAC name of ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide (CID 164555528) is ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide.
What is the SMILES notation for ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The canonical SMILES for ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide is CC.CCNC(=O)N1CC2CC(C1)O2.
What is the InChIKey of ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The InChIKey is RXCNXBASSDKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2H6/c1-2-9-8(11)10-4-6-3-7(5-10)12-6;1-2/h6-7H,2-5H2,1H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide is sourced from PubChem (CID 164555528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).