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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Related Compounds

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
CID 135112882
cis-(1R,2S)-1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 135100104
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 135115094
(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide
CID 137344532
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135117198
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 135120632
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide
CID 135100110
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide
CID 135087320
(2S,3S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methylpentanamide;dihydrochloride
CID 154918160
(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methyl-2-(methylamino)pentanamide
CID 137339926

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).