[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone

C19H30N2O3 — CID 124788943

IUPAC[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCCN(CC)C[C@H]1CCC2(CN(C(=O)c3cc(C)oc3C)C2)OC1
InChIInChI=1S/C19H30N2O3/c1-5-20(6-2)10-16-7-8-19(23-11-16)12-21(13-19)18(22)17-9-14(3)24-15(17)4/h9,16H,5-8,10-13H2,1-4H3/t16-/m1/s1
InChIKeyCVEMHLIPNNTKBV-MRXNPFEDSA-N
MW334.46 g/mol
LogP2.86
Rot. Bonds5

About [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone

[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 124788943) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID124788943
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCCN(CC)C[C@H]1CCC2(CN(C(=O)c3cc(C)oc3C)C2)OC1
InChIInChI=1S/C19H30N2O3/c1-5-20(6-2)10-16-7-8-19(23-11-16)12-21(13-19)18(22)17-9-14(3)24-15(17)4/h9,16H,5-8,10-13H2,1-4H3/t16-/m1/s1
InChIKeyCVEMHLIPNNTKBV-MRXNPFEDSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131653487
[7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155860903
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661365
(2,5-dimethylfuran-3-yl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70781211
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 135091162
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
CID 124816450
8-(2,5-dimethylfuran-3-carbonyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076498
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 124788943) is [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone is CCN(CC)C[C@H]1CCC2(CN(C(=O)c3cc(C)oc3C)C2)OC1.
What is the InChIKey of [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is CVEMHLIPNNTKBV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-20(6-2)10-16-7-8-19(23-11-16)12-21(13-19)18(22)17-9-14(3)24-15(17)4/h9,16H,5-8,10-13H2,1-4H3/t16-/m1/s1.
What are the key properties of [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 124788943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).