furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone

C18H28N2O4 — CID 131640209

IUPACfuran-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
SMILESCC(C)N(C)CC1COC2(COCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C18H28N2O4/c1-14(2)19(3)10-15-9-18(24-11-15)12-20(6-8-22-13-18)17(21)16-5-4-7-23-16/h4-5,7,14-15H,6,8-13H2,1-3H3
InChIKeyDBNNYZRQMQWHPH-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.87
Rot. Bonds4

About furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone

furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone (PubChem CID 131640209) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
PubChem CID131640209
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namefuran-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
SMILESCC(C)N(C)CC1COC2(COCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C18H28N2O4/c1-14(2)19(3)10-15-9-18(24-11-15)12-20(6-8-22-13-18)17(21)16-5-4-7-23-16/h4-5,7,14-15H,6,8-13H2,1-3H3
InChIKeyDBNNYZRQMQWHPH-UHFFFAOYSA-N
XLogP1.87
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[(3R,5R)-3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 98814692
N-methyl-N-[[(3R,5S)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine
CID 124519988
N-[[7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155841860
2-(5-fluoro-2-pyridinyl)-1-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171693585
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
N-[[(3S,5S)-7-[(4-methoxyphenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-N-methylpropan-2-amine
CID 97375228
N-methyl-N-[[7-(thiophen-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155828898
N-methyl-N-[[(3R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine
CID 98814668
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
N-[[(7R)-2-(furan-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783408
furan-2-yl-[8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072937
(2-methylfuran-3-yl)-[3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131642931

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone?
The IUPAC name of furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone (CID 131640209) is furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone is CC(C)N(C)CC1COC2(COCCN(C(=O)c3ccco3)C2)C1.
What is the InChIKey of furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone?
The InChIKey is DBNNYZRQMQWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-14(2)19(3)10-15-9-18(24-11-15)12-20(6-8-22-13-18)17(21)16-5-4-7-23-16/h4-5,7,14-15H,6,8-13H2,1-3H3.
What are the key properties of furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone?
furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone has a molecular weight of 336.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone is sourced from PubChem (CID 131640209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).