[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

C18H17N5O4 — CID 24686145

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H17N5O4/c1-12(17(24)20-15-5-3-4-6-16(15)26-2)27-18(25)13-7-9-14(10-8-13)23-11-19-21-22-23/h3-12H,1-2H3,(H,20,24)
InChIKeyVFJUSVGILCFGMF-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.85
Rot. Bonds6

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (PubChem CID 24686145) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
PubChem CID24686145
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H17N5O4/c1-12(17(24)20-15-5-3-4-6-16(15)26-2)27-18(25)13-7-9-14(10-8-13)23-11-19-21-22-23/h3-12H,1-2H3,(H,20,24)
InChIKeyVFJUSVGILCFGMF-UHFFFAOYSA-N
XLogP1.85
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432
[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

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (CID 24686145) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is COc1ccccc1NC(=O)C(C)OC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is VFJUSVGILCFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-12(17(24)20-15-5-3-4-6-16(15)26-2)27-18(25)13-7-9-14(10-8-13)23-11-19-21-22-23/h3-12H,1-2H3,(H,20,24).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 367.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 24686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).