2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H30N2O3 — CID 70758648

IUPAC2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)o1
InChIInChI=1S/C19H30N2O3/c1-2-3-16-4-5-17(24-16)14-20-10-8-19(9-11-20)7-6-18(23)21(15-19)12-13-22/h4-5,22H,2-3,6-15H2,1H3
InChIKeyFGJZEGAAVJEPLB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70758648) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70758648
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)o1
InChIInChI=1S/C19H30N2O3/c1-2-3-16-4-5-17(24-16)14-20-10-8-19(9-11-20)7-6-18(23)21(15-19)12-13-22/h4-5,22H,2-3,6-15H2,1H3
InChIKeyFGJZEGAAVJEPLB-UHFFFAOYSA-N
XLogP2.43
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70758648) is 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCCc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)o1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FGJZEGAAVJEPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-3-16-4-5-17(24-16)14-20-10-8-19(9-11-20)7-6-18(23)21(15-19)12-13-22/h4-5,22H,2-3,6-15H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70758648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).