N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide

C13H22N2O2 — CID 66267050

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H22N2O2/c1-14-12-7-17-6-10(12)13(16)15-11-5-8-2-3-9(11)4-8/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyMHLXHFFJLHTOHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267050) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267050
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H22N2O2/c1-14-12-7-17-6-10(12)13(16)15-11-5-8-2-3-9(11)4-8/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyMHLXHFFJLHTOHU-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561305
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
CID 66267404
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
(1S,6R)-6-(2-bicyclo[2.2.1]heptanylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962479
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
4-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)oxolane-3-carboxamide
CID 66265010
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119790639

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide (CID 66267050) is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MHLXHFFJLHTOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-12-7-17-6-10(12)13(16)15-11-5-8-2-3-9(11)4-8/h8-12,14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).