1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea

C18H34N2O3 — CID 86816790

IUPAC1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)15(7-11-21)20-16(22)19-14-8-12-23-18(13-14)9-5-4-6-10-18/h14-15,21H,4-13H2,1-3H3,(H2,19,20,22)
InChIKeyFZIXFVZODVVILR-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.96
Rot. Bonds4

About 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea (PubChem CID 86816790) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
PubChem CID86816790
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)15(7-11-21)20-16(22)19-14-8-12-23-18(13-14)9-5-4-6-10-18/h14-15,21H,4-13H2,1-3H3,(H2,19,20,22)
InChIKeyFZIXFVZODVVILR-UHFFFAOYSA-N
XLogP2.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea (CID 86816790) is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea is CC(C)(C)C(CCO)NC(=O)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The InChIKey is FZIXFVZODVVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-17(2,3)15(7-11-21)20-16(22)19-14-8-12-23-18(13-14)9-5-4-6-10-18/h14-15,21H,4-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea has a molecular weight of 326.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea is sourced from PubChem (CID 86816790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).