(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate

C22H25N3O3 — CID 90854688

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C22H25N3O3/c26-21(23-14-11-18-7-3-1-4-8-18)27-25-15-12-22(13-16-25)17-20(24-28-22)19-9-5-2-6-10-19/h1-10,17,24H,11-16H2,(H,23,26)
InChIKeyGDMSLECIZCIZGM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds5

About (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate (PubChem CID 90854688) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
PubChem CID90854688
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C22H25N3O3/c26-21(23-14-11-18-7-3-1-4-8-18)27-25-15-12-22(13-16-25)17-20(24-28-22)19-9-5-2-6-10-19/h1-10,17,24H,11-16H2,(H,23,26)
InChIKeyGDMSLECIZCIZGM-UHFFFAOYSA-N
XLogP3.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90836111
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90917075
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91037811
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-4-yl] N-[(4-methylphenyl)methyl]carbamate
CID 91128847
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(4-fluorophenyl)carbamate
CID 91130696
N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91141557
N-benzyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91307070
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate
CID 91485909
(4-methylpiperidin-4-yl) N-benzhydrylcarbamate
CID 59838145
(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate
CID 68979242
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90701932
Tert-butyl 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90704272

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate (CID 90854688) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate?
The InChIKey is GDMSLECIZCIZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(23-14-11-18-7-3-1-4-8-18)27-25-15-12-22(13-16-25)17-20(24-28-22)19-9-5-2-6-10-19/h1-10,17,24H,11-16H2,(H,23,26).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate is sourced from PubChem (CID 90854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).