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

C21H23N3O3 — CID 91548740

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C21H23N3O3/c25-20(22-16-17-7-3-1-4-8-17)26-24-13-11-21(12-14-24)15-19(23-27-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25)
InChIKeySUCNFFXQFRDRDB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.24
Rot. Bonds4

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

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate (PubChem CID 91548740) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate
PubChem CID91548740
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C21H23N3O3/c25-20(22-16-17-7-3-1-4-8-17)26-24-13-11-21(12-14-24)15-19(23-27-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25)
InChIKeySUCNFFXQFRDRDB-UHFFFAOYSA-N
XLogP3.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.24
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-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-fluorophenyl)carbamate
CID 91004027
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91037811
N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91047608
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 91059315
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate
CID 91109647
[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
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate
CID 91131906
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

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate (CID 91548740) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate is O=C(NCc1ccccc1)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-benzylcarbamate?
The InChIKey is SUCNFFXQFRDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(22-16-17-7-3-1-4-8-17)26-24-13-11-21(12-14-24)15-19(23-27-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-benzylcarbamate has a molecular weight of 365.43 g/mol, XLogP of 3.24, 4 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-benzylcarbamate is sourced from PubChem (CID 91548740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).