N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H25NO2 — CID 103761925

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H25NO2/c1-4-16(8-15(2,3)18)14(17)13-11-9-5-6-10(7-9)12(11)13/h9-13,18H,4-8H2,1-3H3
InChIKeyTYZVQJXEPHBBGY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103761925) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103761925
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H25NO2/c1-4-16(8-15(2,3)18)14(17)13-11-9-5-6-10(7-9)12(11)13/h9-13,18H,4-8H2,1-3H3
InChIKeyTYZVQJXEPHBBGY-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
CID 103925589
2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542
N-ethyl-N-(2-hydroxy-2-methylpropyl)azetidine-3-carboxamide
CID 79379562
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
CID 79385894
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097236
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
3-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79387577
4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 111596363
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103761925) is N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CCN(CC(C)(C)O)C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is TYZVQJXEPHBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-16(8-15(2,3)18)14(17)13-11-9-5-6-10(7-9)12(11)13/h9-13,18H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103761925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).