[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

C18H17N5O5 — CID 2571257

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C18H17N5O5/c1-26-14-7-8-16(27-2)15(9-14)20-17(24)10-28-18(25)12-3-5-13(6-4-12)23-11-19-21-22-23/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyFAJPETVFZFJQQK-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.48
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 2571257) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID2571257
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C18H17N5O5/c1-26-14-7-8-16(27-2)15(9-14)20-17(24)10-28-18(25)12-3-5-13(6-4-12)23-11-19-21-22-23/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyFAJPETVFZFJQQK-UHFFFAOYSA-N
XLogP1.48
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(piperidine-1-carbonyl)-phenyl]-acetamide
CID 646039
4-{5-[(2-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 653523
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 16615029
[1-(2-Fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 25162093
[2-Oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 4831935
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751
Methyl 4-{2-[3-(1H-1,2,3,4-tetrazol-1-YL)phenoxy]acetamido}benzoate
CID 11405500

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CID 2571257) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is FAJPETVFZFJQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-26-14-7-8-16(27-2)15(9-14)20-17(24)10-28-18(25)12-3-5-13(6-4-12)23-11-19-21-22-23/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 383.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 2571257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).