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

C21H23N3O4 — CID 69279859

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C21H23N3O4/c1-26-18-9-7-17(8-10-18)22-20(25)27-24-13-11-21(12-14-24)15-19(23-28-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25)
InChIKeyVHKHRJDJTPPXNE-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.82
Rot. Bonds4

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

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate (PubChem CID 69279859) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
PubChem CID69279859
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C21H23N3O4/c1-26-18-9-7-17(8-10-18)22-20(25)27-24-13-11-21(12-14-24)15-19(23-28-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25)
InChIKeyVHKHRJDJTPPXNE-UHFFFAOYSA-N
XLogP3.82
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate
CID 69279384
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate
CID 69277979
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(3-methylsulfanylphenyl)carbamate
CID 69278100
[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-fluorophenyl)carbamate
CID 69278785
[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-methylsulfanylphenyl)carbamate
CID 69278817
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-methylphenyl)carbamate
CID 69278754
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
CID 69278098
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 69278103
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-methylsulfanylphenyl)carbamate
CID 69278132
3-(3-methoxyphenyl)-N-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbothioamide
CID 87782087
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[2-(trifluoromethyl)phenyl]carbamate
CID 69279315
3-(3-methoxyphenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69322981

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate (CID 69279859) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccccc2)=NO3)cc1.
What is the InChIKey of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate?
The InChIKey is VHKHRJDJTPPXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-18-9-7-17(8-10-18)22-20(25)27-24-13-11-21(12-14-24)15-19(23-28-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate has a molecular weight of 381.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 69279859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).