[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate

C20H27N3O5 — CID 90839387

IUPAC[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)26-18(25)27-23-11-9-20(10-12-23)13-16(22-28-20)17(24)21-14-15-7-5-4-6-8-15/h4-8,13,22H,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVOPSFJHLBYRJFM-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.42
Rot. Bonds4

About [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate

[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate (PubChem CID 90839387) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
PubChem CID90839387
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)26-18(25)27-23-11-9-20(10-12-23)13-16(22-28-20)17(24)21-14-15-7-5-4-6-8-15/h4-8,13,22H,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVOPSFJHLBYRJFM-UHFFFAOYSA-N
XLogP2.42
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012
8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90931429
Tert-butyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91189665
Tert-butyl [3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91203294
N-[(2,4-difluorophenyl)methyl]-8-(dimethylsulfamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91488859
tert-butyl [(3R)-3-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl] carbonate
CID 70279228
tert-butyl [(3S)-3-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl] carbonate
CID 70279641
Tert-butyl 3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90739333
Tert-butyl 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91071216
[1-[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 91144084
Tert-butyl [3-[(4-tert-butylphenyl)methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91208206
Tert-butyl 3-[(4-chlorophenyl)methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91241467

Frequently Asked Questions

What is the IUPAC name of [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate?
The IUPAC name of [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate (CID 90839387) is [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate.
What is the SMILES notation for [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate?
The canonical SMILES for [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate is CC(C)(C)OC(=O)ON1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1.
What is the InChIKey of [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate?
The InChIKey is VOPSFJHLBYRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-19(2,3)26-18(25)27-23-11-9-20(10-12-23)13-16(22-28-20)17(24)21-14-15-7-5-4-6-8-15/h4-8,13,22H,9-12,14H2,1-3H3,(H,21,24).
What are the key properties of [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate?
[3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate has a molecular weight of 389.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate is sourced from PubChem (CID 90839387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).