[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

C19H30N2O3 — CID 118743271

IUPAC[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3occc3C)CC2)CN1C(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)21-13-19(11-16(21)12-23-4)6-8-20(9-7-19)18(22)17-15(3)5-10-24-17/h5,10,14,16H,6-9,11-13H2,1-4H3
InChIKeyPRYKJPGQICZUOD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.94
Rot. Bonds4

About [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 118743271) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
PubChem CID118743271
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3occc3C)CC2)CN1C(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)21-13-19(11-16(21)12-23-4)6-8-20(9-7-19)18(22)17-15(3)5-10-24-17/h5,10,14,16H,6-9,11-13H2,1-4H3
InChIKeyPRYKJPGQICZUOD-UHFFFAOYSA-N
XLogP2.94
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (CID 118743271) is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is COCC1CC2(CCN(C(=O)c3occc3C)CC2)CN1C(C)C.
What is the InChIKey of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is PRYKJPGQICZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)21-13-19(11-16(21)12-23-4)6-8-20(9-7-19)18(22)17-15(3)5-10-24-17/h5,10,14,16H,6-9,11-13H2,1-4H3.
What are the key properties of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 118743271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).