2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide

C17H25N3O3 — CID 97471730

IUPAC2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
SMILESC[C@@H]1CN(Cc2ccoc2)C[C@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C17H25N3O3/c1-13-8-19(9-14-4-7-23-11-14)12-17(13)5-6-20(16(17)22)10-15(21)18(2)3/h4,7,11,13H,5-6,8-10,12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDGVIDACAVHHYHE-CXAGYDPISA-N
MW319.40 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide

2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide (PubChem CID 97471730) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
PubChem CID97471730
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
SMILESC[C@@H]1CN(Cc2ccoc2)C[C@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C17H25N3O3/c1-13-8-19(9-14-4-7-23-11-14)12-17(13)5-6-20(16(17)22)10-15(21)18(2)3/h4,7,11,13H,5-6,8-10,12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDGVIDACAVHHYHE-CXAGYDPISA-N
XLogP1.04
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide (CID 97471730) is 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide is C[C@@H]1CN(Cc2ccoc2)C[C@]12CCN(CC(=O)N(C)C)C2=O.
What is the InChIKey of 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The InChIKey is DGVIDACAVHHYHE-CXAGYDPISA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-8-19(9-14-4-7-23-11-14)12-17(13)5-6-20(16(17)22)10-15(21)18(2)3/h4,7,11,13H,5-6,8-10,12H2,1-3H3/t13-,17-/m1/s1.
What are the key properties of 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide has a molecular weight of 319.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97471730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).