4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H30N2O4 — CID 630125

IUPAC4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(=O)N(CC(O)c1ccccc1)C2(C)O
InChIInChI=1S/C20H30N2O4/c1-17(2)12-20(13-18(3,4)21-17)19(5,25)22(16(24)26-20)11-15(23)14-9-7-6-8-10-14/h6-10,15,21,23,25H,11-13H2,1-5H3
InChIKeyIYHRCMAANRWSAH-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.56
Rot. Bonds3

About 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 630125) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID630125
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(=O)N(CC(O)c1ccccc1)C2(C)O
InChIInChI=1S/C20H30N2O4/c1-17(2)12-20(13-18(3,4)21-17)19(5,25)22(16(24)26-20)11-15(23)14-9-7-6-8-10-14/h6-10,15,21,23,25H,11-13H2,1-5H3
InChIKeyIYHRCMAANRWSAH-UHFFFAOYSA-N
XLogP2.56
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 630125) is 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CC(O)c1ccccc1)C2(C)O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IYHRCMAANRWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-17(2)12-20(13-18(3,4)21-17)19(5,25)22(16(24)26-20)11-15(23)14-9-7-6-8-10-14/h6-10,15,21,23,25H,11-13H2,1-5H3.
What are the key properties of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 630125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).