ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate

C18H17N5O4 — CID 1259832

IUPACethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H17N5O4/c1-2-26-18(25)13-3-5-14(6-4-13)20-17(24)11-27-16-9-7-15(8-10-16)23-12-19-21-22-23/h3-10,12H,2,11H2,1H3,(H,20,24)
InChIKeyFDQFPNOVBQINFZ-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.86
Rot. Bonds7

About ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate

ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 1259832) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
PubChem CID1259832
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Nameethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H17N5O4/c1-2-26-18(25)13-3-5-14(6-4-13)20-17(24)11-27-16-9-7-15(8-10-16)23-12-19-21-22-23/h3-10,12H,2,11H2,1H3,(H,20,24)
InChIKeyFDQFPNOVBQINFZ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535658

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate (CID 1259832) is ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is FDQFPNOVBQINFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-2-26-18(25)13-3-5-14(6-4-13)20-17(24)11-27-16-9-7-15(8-10-16)23-12-19-21-22-23/h3-10,12H,2,11H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 367.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 1259832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).