[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C19H30N2O3 — CID 135091162

IUPAC[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCOC3(CCCC3)C2)c(C)o1
InChIInChI=1S/C19H30N2O3/c1-4-20(5-2)13-16-12-17(15(3)24-16)18(22)21-10-11-23-19(14-21)8-6-7-9-19/h12H,4-11,13-14H2,1-3H3
InChIKeyVWGIDDLLPDNFFI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.22
Rot. Bonds5

About [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 135091162) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID135091162
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCOC3(CCCC3)C2)c(C)o1
InChIInChI=1S/C19H30N2O3/c1-4-20(5-2)13-16-12-17(15(3)24-16)18(22)21-10-11-23-19(14-21)8-6-7-9-19/h12H,4-11,13-14H2,1-3H3
InChIKeyVWGIDDLLPDNFFI-UHFFFAOYSA-N
XLogP3.22
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910464
(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 70742301
[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 124788943
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 90648268
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122159663
6-oxa-9-azaspiro[4.5]decan-9-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252743
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727088
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 107402375
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 99833423

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 135091162) is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is CCN(CC)Cc1cc(C(=O)N2CCOC3(CCCC3)C2)c(C)o1.
What is the InChIKey of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is VWGIDDLLPDNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-20(5-2)13-16-12-17(15(3)24-16)18(22)21-10-11-23-19(14-21)8-6-7-9-19/h12H,4-11,13-14H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 135091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).