N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C22H25N3O2 — CID 90945542

IUPACN-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)16-23-21(26)25-13-11-22(12-14-25)15-20(24-27-22)19-5-3-2-4-6-19/h2-10,15,24H,11-14,16H2,1H3,(H,23,26)
InChIKeyYITYEXLEXHFEQM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90945542) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID90945542
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)16-23-21(26)25-13-11-22(12-14-25)15-20(24-27-22)19-5-3-2-4-6-19/h2-10,15,24H,11-14,16H2,1H3,(H,23,26)
InChIKeyYITYEXLEXHFEQM-UHFFFAOYSA-N
XLogP3.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.62
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
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-p-tolyl-1,3-dihydro-imidazol-2-one
CID 10666315
N-(2-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90720477
N-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90810307
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90836111
N-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90862026
N-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90890073
3-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90905064
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90917075
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90945542) is N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is Cc1ccc(CNC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is YITYEXLEXHFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)16-23-21(26)25-13-11-22(12-14-25)15-20(24-27-22)19-5-3-2-4-6-19/h2-10,15,24H,11-14,16H2,1H3,(H,23,26).
What are the key properties of N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90945542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).