N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide

C20H27N3O3 — CID 87234398

IUPACN-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)C2NCC3(CC3)CC2C(=O)NO)C1
InChIInChI=1S/C20H27N3O3/c1-19(14-5-3-2-4-6-14)9-10-23(13-19)18(25)16-15(17(24)22-26)11-20(7-8-20)12-21-16/h2-6,15-16,21,26H,7-13H2,1H3,(H,22,24)
InChIKeyNEECMLPEWFTZRA-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.44
Rot. Bonds3

About N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide

N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234398) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234398
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)C2NCC3(CC3)CC2C(=O)NO)C1
InChIInChI=1S/C20H27N3O3/c1-19(14-5-3-2-4-6-14)9-10-23(13-19)18(25)16-15(17(24)22-26)11-20(7-8-20)12-21-16/h2-6,15-16,21,26H,7-13H2,1H3,(H,22,24)
InChIKeyNEECMLPEWFTZRA-UHFFFAOYSA-N
XLogP1.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide (CID 87234398) is N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide is CC1(c2ccccc2)CCN(C(=O)C2NCC3(CC3)CC2C(=O)NO)C1.
What is the InChIKey of N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is NEECMLPEWFTZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19(14-5-3-2-4-6-14)9-10-23(13-19)18(25)16-15(17(24)22-26)11-20(7-8-20)12-21-16/h2-6,15-16,21,26H,7-13H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).