N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide

C18H17N5O5 — CID 88881788

IUPACN-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C=O)ccc1O
InChIInChI=1S/C18H17N5O5/c1-3-21(14-10-12(11-24)8-9-15(14)25)17(26)23-18(27)22(19-20-23)13-6-4-5-7-16(13)28-2/h4-11,25H,3H2,1-2H3
InChIKeyDOIPYFZLHPDKFR-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.45
Rot. Bonds5

About N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide

N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 88881788) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID88881788
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C=O)ccc1O
InChIInChI=1S/C18H17N5O5/c1-3-21(14-10-12(11-24)8-9-15(14)25)17(26)23-18(27)22(19-20-23)13-6-4-5-7-16(13)28-2/h4-11,25H,3H2,1-2H3
InChIKeyDOIPYFZLHPDKFR-UHFFFAOYSA-N
XLogP1.45
TPSA119.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502440
benzyl 5-[ethyl-[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methoxybenzoate
CID 58502217
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502374
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
benzyl 4-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-methylamino]benzoate
CID 126499071
N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502492
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one
CID 134228568
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502301
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide (CID 88881788) is N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2ccccc2OC)c1=O)c1cc(C=O)ccc1O.
What is the InChIKey of N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is DOIPYFZLHPDKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-3-21(14-10-12(11-24)8-9-15(14)25)17(26)23-18(27)22(19-20-23)13-6-4-5-7-16(13)28-2/h4-11,25H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 88881788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).