N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

C21H25N5O3 — CID 51369234

IUPACN-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1
InChIInChI=1S/C21H25N5O3/c1-2-28-17-8-6-16(7-9-17)23-19(27)15-26-13-10-21(11-14-26)24-20(25-29-21)18-5-3-4-12-22-18/h3-9,12H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyAUZKPDQSNSRPHQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.19
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (PubChem CID 51369234) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
PubChem CID51369234
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1
InChIInChI=1S/C21H25N5O3/c1-2-28-17-8-6-16(7-9-17)23-19(27)15-26-13-10-21(11-14-26)24-20(25-29-21)18-5-3-4-12-22-18/h3-9,12H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyAUZKPDQSNSRPHQ-UHFFFAOYSA-N
XLogP2.19
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369219
N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369218
N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369274
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369305
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3053611
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (CID 51369234) is N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is CCOc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The InChIKey is AUZKPDQSNSRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-2-28-17-8-6-16(7-9-17)23-19(27)15-26-13-10-21(11-14-26)24-20(25-29-21)18-5-3-4-12-22-18/h3-9,12H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is sourced from PubChem (CID 51369234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).