N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C21H23N3O2 — CID 90852364

IUPACN-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(22-16-17-7-3-1-4-8-17)24-13-11-21(12-14-24)15-19(23-26-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25)
InChIKeyQWKPIVBJYUNESQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds3

About N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90852364) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID90852364
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(22-16-17-7-3-1-4-8-17)24-13-11-21(12-14-24)15-19(23-26-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25)
InChIKeyQWKPIVBJYUNESQ-UHFFFAOYSA-N
XLogP3.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
3-(1-Benzyl-4-piperidyl)-5-methyl-4-phenyl-1H-imidazol-2-one
CID 10569690
1-(1-Benzyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10735405
5-Methyl-4-phenyl-1-[1-(3-phenyl-propyl)-piperidin-4-yl]-1,3-dihydro-imidazol-2-one
CID 10667201
N-(2-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90720477
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90836111
3-phenyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90863698
N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91027762
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91037811
N-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91041463

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90852364) is N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(NCc1ccccc1)N1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is QWKPIVBJYUNESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(22-16-17-7-3-1-4-8-17)24-13-11-21(12-14-24)15-19(23-26-21)18-9-5-2-6-10-18/h1-10,15,23H,11-14,16H2,(H,22,25).
What are the key properties of N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90852364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).