4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H28N2O3 — CID 118567550

IUPAC4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc2)C1=O
InChIInChI=1S/C23H28N2O3/c1-18-22(27)25(20-7-9-21(26)10-8-20)17-23(28-18)12-15-24(16-13-23)14-11-19-5-3-2-4-6-19/h2-10,18,26H,11-17H2,1H3
InChIKeyHEVHIURIMIMQGN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567550) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567550
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc2)C1=O
InChIInChI=1S/C23H28N2O3/c1-18-22(27)25(20-7-9-21(26)10-8-20)17-23(28-18)12-15-24(16-13-23)14-11-19-5-3-2-4-6-19/h2-10,18,26H,11-17H2,1H3
InChIKeyHEVHIURIMIMQGN-UHFFFAOYSA-N
XLogP3.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562522
4-(3-Methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562556
4-(3-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567552
4-(2-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567618
4-(2-Methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567744
Tyrosinase-IN-6
CID 8436154
3-(4-Benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 162673348
9-(2-Hydroxy-2-phenylethyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44381818
(4aS,9aS)-7-[(4-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134807435
(4aS,9aS)-7-[(2-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134810679
(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one
CID 95368650
p-Methoxy-methoxyacetylfentanyl
CID 137700079

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567550) is 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc2)C1=O.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HEVHIURIMIMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18-22(27)25(20-7-9-21(26)10-8-20)17-23(28-18)12-15-24(16-13-23)14-11-19-5-3-2-4-6-19/h2-10,18,26H,11-17H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).