[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate

C22H24ClN3O3 — CID 91143763

IUPAC[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C22H24ClN3O3/c23-19-8-6-18(7-9-19)20-16-22(29-25-20)11-14-26(15-12-22)28-21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27)
InChIKeyDHEAGDHURPIYSN-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.93
Rot. Bonds5

About [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate

[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate (PubChem CID 91143763) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
PubChem CID91143763
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C22H24ClN3O3/c23-19-8-6-18(7-9-19)20-16-22(29-25-20)11-14-26(15-12-22)28-21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27)
InChIKeyDHEAGDHURPIYSN-UHFFFAOYSA-N
XLogP3.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.93
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-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 91289968
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-benzylcarbamate
CID 69278491
3-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90721275
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90735819
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(4-chlorophenyl)carbamate
CID 90783803
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90784345
N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90795742
3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90822069
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 90928494

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate (CID 91143763) is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate?
The InChIKey is DHEAGDHURPIYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-19-8-6-18(7-9-19)20-16-22(29-25-20)11-14-26(15-12-22)28-21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27).
What are the key properties of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate?
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate has a molecular weight of 413.91 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate is sourced from PubChem (CID 91143763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).