N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C11H20N2O2 — CID 79160645

IUPACN-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCN(C)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O2/c1-3-12(2)11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,3-7H2,1-2H3
InChIKeyVOCZQRRDEKIUDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.05
Rot. Bonds1

About N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 79160645) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID79160645
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCN(C)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O2/c1-3-12(2)11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,3-7H2,1-2H3
InChIKeyVOCZQRRDEKIUDY-UHFFFAOYSA-N
XLogP1.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
CID 63769474
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
CID 63770540
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpentan-1-one
CID 134454469
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 63763771
3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
CID 63768013
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498445
2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-prop-2-enylamino]acetic acid
CID 79285230
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 107905266
2-chloro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 79160645) is N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CCN(C)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is VOCZQRRDEKIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12(2)11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 79160645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).