2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H30N4O2 — CID 70731061

IUPAC2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)n1ccnc1CN1CCCC2(CCC(=O)N(CCO)C2)C1
InChIInChI=1S/C18H30N4O2/c1-15(2)22-9-7-19-16(22)12-20-8-3-5-18(13-20)6-4-17(24)21(14-18)10-11-23/h7,9,15,23H,3-6,8,10-14H2,1-2H3
InChIKeyQAVURFOMDKAHPY-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70731061) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70731061
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)n1ccnc1CN1CCCC2(CCC(=O)N(CCO)C2)C1
InChIInChI=1S/C18H30N4O2/c1-15(2)22-9-7-19-16(22)12-20-8-3-5-18(13-20)6-4-17(24)21(14-18)10-11-23/h7,9,15,23H,3-6,8,10-14H2,1-2H3
InChIKeyQAVURFOMDKAHPY-UHFFFAOYSA-N
XLogP1.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70731061) is 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CC(C)n1ccnc1CN1CCCC2(CCC(=O)N(CCO)C2)C1.
What is the InChIKey of 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QAVURFOMDKAHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(2)22-9-7-19-16(22)12-20-8-3-5-18(13-20)6-4-17(24)21(14-18)10-11-23/h7,9,15,23H,3-6,8,10-14H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70731061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).