methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate

C25H30N2O4 — CID 118562469

IUPACmethyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate
SMILESCOC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C25H30N2O4/c1-30-23(28)18-22-24(29)27(21-10-6-3-7-11-21)19-25(31-22)13-16-26(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3
InChIKeyNWICMXBOJMLOIB-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.06
Rot. Bonds6

About methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate

methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate (PubChem CID 118562469) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate
PubChem CID118562469
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Namemethyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate
SMILESCOC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C25H30N2O4/c1-30-23(28)18-22-24(29)27(21-10-6-3-7-11-21)19-25(31-22)13-16-26(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3
InChIKeyNWICMXBOJMLOIB-UHFFFAOYSA-N
XLogP3.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate with MolForge

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Related Compounds

4-Phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562375
2-Ethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562510
2-Methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 102004349
3-[2-(2-Methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]benzonitrile
CID 118562359
2-(Hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
9-[2-(2-Fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562384
9-[2-(3-Fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562440
(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562451
12-Phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 118562538
9-[2-(4-Fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562567
(2R)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562584
2,2-Dimethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate (CID 118562469) is methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate is COC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate?
The InChIKey is NWICMXBOJMLOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-23(28)18-22-24(29)27(21-10-6-3-7-11-21)19-25(31-22)13-16-26(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3.
What are the key properties of methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate?
methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate has a molecular weight of 422.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate is sourced from PubChem (CID 118562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).