1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one

C19H30N2O3 — CID 99785138

IUPAC1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one
SMILESCCO[C@@H]1C[C@@H](NCCCCn2ccccc2=O)C12CCOCC2
InChIInChI=1S/C19H30N2O3/c1-2-24-17-15-16(19(17)8-13-23-14-9-19)20-10-4-6-12-21-11-5-3-7-18(21)22/h3,5,7,11,16-17,20H,2,4,6,8-10,12-15H2,1H3/t16-,17-/m1/s1
InChIKeyQBXUYTRWYCXGIA-IAGOWNOFSA-N
MW334.46 g/mol
LogP2.19
Rot. Bonds8

About 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one

1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one (PubChem CID 99785138) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one
PubChem CID99785138
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one
SMILESCCO[C@@H]1C[C@@H](NCCCCn2ccccc2=O)C12CCOCC2
InChIInChI=1S/C19H30N2O3/c1-2-24-17-15-16(19(17)8-13-23-14-9-19)20-10-4-6-12-21-11-5-3-7-18(21)22/h3,5,7,11,16-17,20H,2,4,6,8-10,12-15H2,1H3/t16-,17-/m1/s1
InChIKeyQBXUYTRWYCXGIA-IAGOWNOFSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one?
The IUPAC name of 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one (CID 99785138) is 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one?
The canonical SMILES for 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one is CCO[C@@H]1C[C@@H](NCCCCn2ccccc2=O)C12CCOCC2.
What is the InChIKey of 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one?
The InChIKey is QBXUYTRWYCXGIA-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-24-17-15-16(19(17)8-13-23-14-9-19)20-10-4-6-12-21-11-5-3-7-18(21)22/h3,5,7,11,16-17,20H,2,4,6,8-10,12-15H2,1H3/t16-,17-/m1/s1.
What are the key properties of 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one?
1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]amino]butyl]pyridin-2-one is sourced from PubChem (CID 99785138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).