3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide

C25H24N5O6- — CID 163815701

IUPAC3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccc(N([O-])O)c3)cc2)n1
InChIInChI=1S/C25H24N5O6/c1-34-13-14-36-25-27-23(17-5-4-8-22(16-17)35-2)29(28-25)20-11-9-19(10-12-20)26-24(31)18-6-3-7-21(15-18)30(32)33/h3-12,15-16,32H,13-14H2,1-2H3,(H,26,31)/q-1
InChIKeyLXTGZFRMRKQIFO-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.91
Rot. Bonds10

About 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide

3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide (PubChem CID 163815701) has the molecular formula C25H24N5O6- and a molecular weight of 490.50 g/mol. Its IUPAC name is 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
PubChem CID163815701
Molecular FormulaC25H24N5O6-
Molecular Weight490.50 g/mol
Exact Mass490.17
IUPAC Name3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccc(N([O-])O)c3)cc2)n1
InChIInChI=1S/C25H24N5O6/c1-34-13-14-36-25-27-23(17-5-4-8-22(16-17)35-2)29(28-25)20-11-9-19(10-12-20)26-24(31)18-6-3-7-21(15-18)30(32)33/h3-12,15-16,32H,13-14H2,1-2H3,(H,26,31)/q-1
InChIKeyLXTGZFRMRKQIFO-UHFFFAOYSA-N
XLogP3.91
TPSA134.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-ethoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 42809966
N-[4-[5-(3-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide
CID 42809971
3,5-dimethoxy-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4049573
N-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]-3-fluorobenzamide
CID 42809860
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(3-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
CID 127052131
3,4-dichloro-N-[4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 3403706
N-[4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]acetamide
CID 42778616
N-[3-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42810019
N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-ethylbenzamide
CID 3568210
N-[4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]thiophene-2-carboxamide
CID 5012051
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
3-bromo-N-[4-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 46123836

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The IUPAC name of 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide (CID 163815701) is 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide is COCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccc(N([O-])O)c3)cc2)n1.
What is the InChIKey of 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The InChIKey is LXTGZFRMRKQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N5O6/c1-34-13-14-36-25-27-23(17-5-4-8-22(16-17)35-2)29(28-25)20-11-9-19(10-12-20)26-24(31)18-6-3-7-21(15-18)30(32)33/h3-12,15-16,32H,13-14H2,1-2H3,(H,26,31)/q-1.
What are the key properties of 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide has a molecular weight of 490.50 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(oxido)amino]-N-[4-[3-(2-methoxyethoxy)-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 163815701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).