N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C16H22N2O2 — CID 106954509

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(NC(=O)C2CC23CCNCC3)c(C)cc1O
InChIInChI=1S/C16H22N2O2/c1-10-8-14(19)11(2)7-13(10)18-15(20)12-9-16(12)3-5-17-6-4-16/h7-8,12,17,19H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyKBEZPXBAQWCSBY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.34
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 106954509) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID106954509
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(NC(=O)C2CC23CCNCC3)c(C)cc1O
InChIInChI=1S/C16H22N2O2/c1-10-8-14(19)11(2)7-13(10)18-15(20)12-9-16(12)3-5-17-6-4-16/h7-8,12,17,19H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyKBEZPXBAQWCSBY-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 106954509) is N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(NC(=O)C2CC23CCNCC3)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is KBEZPXBAQWCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-8-14(19)11(2)7-13(10)18-15(20)12-9-16(12)3-5-17-6-4-16/h7-8,12,17,19H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 106954509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).