furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C19H24N2O4 — CID 124831865

IUPACfuran-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESC[C@@H]1CN(Cc2ccco2)C[C@]12COCCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C19H24N2O4/c1-15-9-20(10-17-3-2-6-25-17)12-19(15)13-21(5-8-24-14-19)18(22)16-4-7-23-11-16/h2-4,6-7,11,15H,5,8-10,12-14H2,1H3/t15-,19+/m1/s1
InChIKeyZNILLUNASRXLQI-BEFAXECRSA-N
MW344.41 g/mol
LogP2.48
Rot. Bonds3

About furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 124831865) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID124831865
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namefuran-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESC[C@@H]1CN(Cc2ccco2)C[C@]12COCCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C19H24N2O4/c1-15-9-20(10-17-3-2-6-25-17)12-19(15)13-21(5-8-24-14-19)18(22)16-4-7-23-11-16/h2-4,6-7,11,15H,5,8-10,12-14H2,1H3/t15-,19+/m1/s1
InChIKeyZNILLUNASRXLQI-BEFAXECRSA-N
XLogP2.48
TPSA59.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-2-(furan-2-ylmethyl)-4-methyl-10-[(1-methylpyrazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171695577
(4R,5R)-2-(furan-2-ylmethyl)-4-methyl-10-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155827164
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
furan-2-yl-[(4S,5R)-4-methyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 124831689
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 131658564
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
CID 97472191
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
CID 129349585
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97373146
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 124831865) is furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is C[C@@H]1CN(Cc2ccco2)C[C@]12COCCN(C(=O)c1ccoc1)C2.
What is the InChIKey of furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is ZNILLUNASRXLQI-BEFAXECRSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-15-9-20(10-17-3-2-6-25-17)12-19(15)13-21(5-8-24-14-19)18(22)16-4-7-23-11-16/h2-4,6-7,11,15H,5,8-10,12-14H2,1H3/t15-,19+/m1/s1.
What are the key properties of furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 344.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(4S,5R)-2-(furan-2-ylmethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 124831865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).