1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone

C19H25NO4 — CID 70779541

IUPAC1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1ccccc1C(C)=O)CC2
InChIInChI=1S/C19H25NO4/c1-13(21)14-6-4-5-7-15(14)17(23)20-10-8-19(9-11-20)16(22)12-18(19,2)24-3/h4-7,16,22H,8-12H2,1-3H3/t16-,18+/m1/s1
InChIKeyOYAAYKCCTFGEGQ-AEFFLSMTSA-N
MW331.41 g/mol
LogP2.28
Rot. Bonds3

About 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone

1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone (PubChem CID 70779541) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone
PubChem CID70779541
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1ccccc1C(C)=O)CC2
InChIInChI=1S/C19H25NO4/c1-13(21)14-6-4-5-7-15(14)17(23)20-10-8-19(9-11-20)16(22)12-18(19,2)24-3/h4-7,16,22H,8-12H2,1-3H3/t16-,18+/m1/s1
InChIKeyOYAAYKCCTFGEGQ-AEFFLSMTSA-N
XLogP2.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone (CID 70779541) is 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone is CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1ccccc1C(C)=O)CC2.
What is the InChIKey of 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone?
The InChIKey is OYAAYKCCTFGEGQ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(21)14-6-4-5-7-15(14)17(23)20-10-8-19(9-11-20)16(22)12-18(19,2)24-3/h4-7,16,22H,8-12H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone?
1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone has a molecular weight of 331.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]ethanone is sourced from PubChem (CID 70779541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).