ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate

C14H17N5O4 — CID 146146539

IUPACethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O4/c1-3-22-13(21)8-19(2)12(20)9-23-11-6-4-10(5-7-11)14-15-17-18-16-14/h4-7H,3,8-9H2,1-2H3,(H,15,16,17,18)
InChIKeyXCTNUHJCMGAGDY-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.27
Rot. Bonds7

About ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate

ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate (PubChem CID 146146539) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate
PubChem CID146146539
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Nameethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O4/c1-3-22-13(21)8-19(2)12(20)9-23-11-6-4-10(5-7-11)14-15-17-18-16-14/h4-7H,3,8-9H2,1-2H3,(H,15,16,17,18)
InChIKeyXCTNUHJCMGAGDY-UHFFFAOYSA-N
XLogP0.27
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
ethyl 2-[4-propyl-5-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]indol-1-yl]acetate
CID 11951811
pent-2-ynyl 4-(2H-tetrazol-5-yl)benzoate
CID 23541057
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
2-(4-carbamothioylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate (CID 146146539) is ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate?
The InChIKey is XCTNUHJCMGAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-3-22-13(21)8-19(2)12(20)9-23-11-6-4-10(5-7-11)14-15-17-18-16-14/h4-7H,3,8-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate?
ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate has a molecular weight of 319.32 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate is sourced from PubChem (CID 146146539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).