[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

C18H17N5O4 — CID 4804274

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O4/c1-26-16-8-3-2-5-14(16)10-19-17(24)11-27-18(25)13-6-4-7-15(9-13)23-12-20-21-22-23/h2-9,12H,10-11H2,1H3,(H,19,24)
InChIKeyJRAGLBAGLOSHGA-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.14
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 4804274) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID4804274
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O4/c1-26-16-8-3-2-5-14(16)10-19-17(24)11-27-18(25)13-6-4-7-15(9-13)23-12-20-21-22-23/h2-9,12H,10-11H2,1H3,(H,19,24)
InChIKeyJRAGLBAGLOSHGA-UHFFFAOYSA-N
XLogP1.14
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2116682
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33124842
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 27971227
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 4804274) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is COc1ccccc1CNC(=O)COC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is JRAGLBAGLOSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-26-16-8-3-2-5-14(16)10-19-17(24)11-27-18(25)13-6-4-7-15(9-13)23-12-20-21-22-23/h2-9,12H,10-11H2,1H3,(H,19,24).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 367.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 4804274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).