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

C30H34N2O3 — CID 118562576

IUPAC4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
InChIKeyOCSZOZIYXZJENV-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.71
Rot. Bonds8

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

4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562576) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562576
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
InChIKeyOCSZOZIYXZJENV-UHFFFAOYSA-N
XLogP4.71
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562576) is 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1.
What is the InChIKey of 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OCSZOZIYXZJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2.
What are the key properties of 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 470.61 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-(2-phenylethyl)-2-(phenylmethoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).