1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea

C20H30N2O3 — CID 86769678

IUPAC1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H30N2O3/c1-15(13-16-5-7-18(23)8-6-16)21-19(24)22-17-9-12-25-20(14-17)10-3-2-4-11-20/h5-8,15,17,23H,2-4,9-14H2,1H3,(H2,21,22,24)
InChIKeyPTIVENWMHIMULT-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.50
Rot. Bonds4

About 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea

1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea (PubChem CID 86769678) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
PubChem CID86769678
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H30N2O3/c1-15(13-16-5-7-18(23)8-6-16)21-19(24)22-17-9-12-25-20(14-17)10-3-2-4-11-20/h5-8,15,17,23H,2-4,9-14H2,1H3,(H2,21,22,24)
InChIKeyPTIVENWMHIMULT-UHFFFAOYSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124888728
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(1R)-1-pyridin-4-ylpropyl]urea
CID 97235585
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The IUPAC name of 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea (CID 86769678) is 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The canonical SMILES for 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea is CC(Cc1ccc(O)cc1)NC(=O)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
The InChIKey is PTIVENWMHIMULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(13-16-5-7-18(23)8-6-16)21-19(24)22-17-9-12-25-20(14-17)10-3-2-4-11-20/h5-8,15,17,23H,2-4,9-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea?
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea has a molecular weight of 346.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea is sourced from PubChem (CID 86769678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).