2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

C17H23N3O3 — CID 110160674

IUPAC2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESNC(=O)CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O
InChIInChI=1S/C17H23N3O3/c18-14(22)11-20-8-6-17(7-9-20)10-13(21)15(19-16(17)23)12-4-2-1-3-5-12/h1-5,13,15,21H,6-11H2,(H2,18,22)(H,19,23)/t13-,15+/m1/s1
InChIKeyZFLXCNBAGWJZEZ-HIFRSBDPSA-N
MW317.39 g/mol
LogP0.18
Rot. Bonds3

About 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 110160674) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
PubChem CID110160674
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESNC(=O)CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O
InChIInChI=1S/C17H23N3O3/c18-14(22)11-20-8-6-17(7-9-20)10-13(21)15(19-16(17)23)12-4-2-1-3-5-12/h1-5,13,15,21H,6-11H2,(H2,18,22)(H,19,23)/t13-,15+/m1/s1
InChIKeyZFLXCNBAGWJZEZ-HIFRSBDPSA-N
XLogP0.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (CID 110160674) is 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is NC(=O)CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O.
What is the InChIKey of 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is ZFLXCNBAGWJZEZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-14(22)11-20-8-6-17(7-9-20)10-13(21)15(19-16(17)23)12-4-2-1-3-5-12/h1-5,13,15,21H,6-11H2,(H2,18,22)(H,19,23)/t13-,15+/m1/s1.
What are the key properties of 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-hydroxy-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 110160674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).