(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

C19H24N2O2 — CID 26329891

IUPAC(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESC/C=C(\C)C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-14(2)18(23)21-11-9-19(10-12-21)13-16(19)17(22)20-15-7-5-4-6-8-15/h3-8,16H,9-13H2,1-2H3,(H,20,22)/b14-3+/t16-/m0/s1
InChIKeyDLIQKLRIAOIMIO-TYMUOXQOSA-N
MW312.41 g/mol
LogP3.22
Rot. Bonds3

About (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26329891) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26329891
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESC/C=C(\C)C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-14(2)18(23)21-11-9-19(10-12-21)13-16(19)17(22)20-15-7-5-4-6-8-15/h3-8,16H,9-13H2,1-2H3,(H,20,22)/b14-3+/t16-/m0/s1
InChIKeyDLIQKLRIAOIMIO-TYMUOXQOSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 26279470
(2S)-N-phenyl-6-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42499142
(2R)-N-(3,5-dimethylphenyl)-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42248101
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
(E)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)but-2-en-1-one
CID 174192675
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 45178295
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
(2S)-2-(pyrimidin-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 172732798
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136534

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (CID 26329891) is (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is C/C=C(\C)C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DLIQKLRIAOIMIO-TYMUOXQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-14(2)18(23)21-11-9-19(10-12-21)13-16(19)17(22)20-15-7-5-4-6-8-15/h3-8,16H,9-13H2,1-2H3,(H,20,22)/b14-3+/t16-/m0/s1.
What are the key properties of (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26329891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).