N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C21H28N2O3 — CID 126467627

IUPACN-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC23CCN(C(=O)C2CCOC2)CC3)c1
InChIInChI=1S/C21H28N2O3/c1-14-9-15(2)11-17(10-14)22-19(24)18-12-21(18)4-6-23(7-5-21)20(25)16-3-8-26-13-16/h9-11,16,18H,3-8,12-13H2,1-2H3,(H,22,24)
InChIKeyNVASGQOSUDZPBR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.91
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467627) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126467627
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC23CCN(C(=O)C2CCOC2)CC3)c1
InChIInChI=1S/C21H28N2O3/c1-14-9-15(2)11-17(10-14)22-19(24)18-12-21(18)4-6-23(7-5-21)20(25)16-3-8-26-13-16/h9-11,16,18H,3-8,12-13H2,1-2H3,(H,22,24)
InChIKeyNVASGQOSUDZPBR-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126467627) is N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(C)cc(NC(=O)C2CC23CCN(C(=O)C2CCOC2)CC3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NVASGQOSUDZPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-9-15(2)11-17(10-14)22-19(24)18-12-21(18)4-6-23(7-5-21)20(25)16-3-8-26-13-16/h9-11,16,18H,3-8,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).