N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide

C13H19N3O2 — CID 135096164

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide
SMILESO=C(C1CC12CCC2)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C13H19N3O2/c17-7-6-16(9-11-14-4-5-15-11)12(18)10-8-13(10)2-1-3-13/h4-5,10,17H,1-3,6-9H2,(H,14,15)
InChIKeyFQFCEVQGXJCMEY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.92
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide (PubChem CID 135096164) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide
PubChem CID135096164
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide
SMILESO=C(C1CC12CCC2)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C13H19N3O2/c17-7-6-16(9-11-14-4-5-15-11)12(18)10-8-13(10)2-1-3-13/h4-5,10,17H,1-3,6-9H2,(H,14,15)
InChIKeyFQFCEVQGXJCMEY-UHFFFAOYSA-N
XLogP0.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide (CID 135096164) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide is O=C(C1CC12CCC2)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide?
The InChIKey is FQFCEVQGXJCMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-7-6-16(9-11-14-4-5-15-11)12(18)10-8-13(10)2-1-3-13/h4-5,10,17H,1-3,6-9H2,(H,14,15).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 135096164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).