N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C22H17N5O4 — CID 7705710

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1cc2c(cc1NC(=O)COc1cccc(-n3cnnn3)c1)oc1ccccc12
InChIInChI=1S/C22H17N5O4/c1-29-21-10-17-16-7-2-3-8-19(16)31-20(17)11-18(21)24-22(28)12-30-15-6-4-5-14(9-15)27-13-23-25-26-27/h2-11,13H,12H2,1H3,(H,24,28)
InChIKeyGNYJHUXXJFAJSV-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.59
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7705710) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7705710
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1cc2c(cc1NC(=O)COc1cccc(-n3cnnn3)c1)oc1ccccc12
InChIInChI=1S/C22H17N5O4/c1-29-21-10-17-16-7-2-3-8-19(16)31-20(17)11-18(21)24-22(28)12-30-15-6-4-5-14(9-15)27-13-23-25-26-27/h2-11,13H,12H2,1H3,(H,24,28)
InChIKeyGNYJHUXXJFAJSV-UHFFFAOYSA-N
XLogP3.59
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 47004283
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 4022781
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2617697
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7705710) is N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1cc2c(cc1NC(=O)COc1cccc(-n3cnnn3)c1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is GNYJHUXXJFAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-29-21-10-17-16-7-2-3-8-19(16)31-20(17)11-18(21)24-22(28)12-30-15-6-4-5-14(9-15)27-13-23-25-26-27/h2-11,13H,12H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 415.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7705710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).