3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H33N3O3 — CID 95862402

IUPAC3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc([C@@H](C)CCN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1
InChIInChI=1S/C20H33N3O3/c1-16(18-6-5-17(2)25-18)7-10-22-11-8-20(9-12-22)15-23(19(24)26-20)14-13-21(3)4/h5-6,16H,7-15H2,1-4H3/t16-/m0/s1
InChIKeySDGKQESWTAUIKL-INIZCTEOSA-N
MW363.50 g/mol
LogP2.93
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95862402) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95862402
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc([C@@H](C)CCN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1
InChIInChI=1S/C20H33N3O3/c1-16(18-6-5-17(2)25-18)7-10-22-11-8-20(9-12-22)15-23(19(24)26-20)14-13-21(3)4/h5-6,16H,7-15H2,1-4H3/t16-/m0/s1
InChIKeySDGKQESWTAUIKL-INIZCTEOSA-N
XLogP2.93
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl]-8-[(E)-3-phenylprop-2-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776070
8-methyl-3-[2-[methyl(2-methylpropyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297
3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720095
3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707730
1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134430
3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70769551
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70755788
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783189
3-[3-[cyclohexyl(methyl)amino]propyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70739066
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95862402) is 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc([C@@H](C)CCN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SDGKQESWTAUIKL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-16(18-6-5-17(2)25-18)7-10-22-11-8-20(9-12-22)15-23(19(24)26-20)14-13-21(3)4/h5-6,16H,7-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95862402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).