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

C20H27N3O3 — CID 90829383

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O3/c24-19(21-17-9-5-2-6-10-17)25-23-13-11-20(12-14-23)15-18(22-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17,22H,2,5-6,9-14H2,(H,21,24)
InChIKeyYRXBYTJYOQLNTR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.37
Rot. Bonds3

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

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate (PubChem CID 90829383) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
PubChem CID90829383
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O3/c24-19(21-17-9-5-2-6-10-17)25-23-13-11-20(12-14-23)15-18(22-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17,22H,2,5-6,9-14H2,(H,21,24)
InChIKeyYRXBYTJYOQLNTR-UHFFFAOYSA-N
XLogP3.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

O-[[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]] N-cyclohexylcarbamothioate
CID 90734156
[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-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
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate
CID 91485909
1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)
CID 59036852
(4-methylpiperidin-4-yl) N-benzhydrylcarbamate
CID 59838145
(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid
CID 68884210
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-cyclohexylcarbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate (CID 90829383) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)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-cyclohexylcarbamate?
The InChIKey is YRXBYTJYOQLNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(21-17-9-5-2-6-10-17)25-23-13-11-20(12-14-23)15-18(22-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17,22H,2,5-6,9-14H2,(H,21,24).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate has a molecular weight of 357.45 g/mol, XLogP of 3.37, 3 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-cyclohexylcarbamate is sourced from PubChem (CID 90829383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).