N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C22H19N5O3 — CID 7769112

IUPACN-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)COc3cccc(-n4cnnn4)c3)cc2)cc1
InChIInChI=1S/C22H19N5O3/c1-16-5-9-19(10-6-16)30-20-11-7-17(8-12-20)24-22(28)14-29-21-4-2-3-18(13-21)27-15-23-25-26-27/h2-13,15H,14H2,1H3,(H,24,28)
InChIKeyXSNNVKRTMROMHP-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.78
Rot. Bonds7

About N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7769112) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7769112
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)COc3cccc(-n4cnnn4)c3)cc2)cc1
InChIInChI=1S/C22H19N5O3/c1-16-5-9-19(10-6-16)30-20-11-7-17(8-12-20)24-22(28)14-29-21-4-2-3-18(13-21)27-15-23-25-26-27/h2-13,15H,14H2,1H3,(H,24,28)
InChIKeyXSNNVKRTMROMHP-UHFFFAOYSA-N
XLogP3.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 11223596
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7769112) is N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is Cc1ccc(Oc2ccc(NC(=O)COc3cccc(-n4cnnn4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is XSNNVKRTMROMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-16-5-9-19(10-6-16)30-20-11-7-17(8-12-20)24-22(28)14-29-21-4-2-3-18(13-21)27-15-23-25-26-27/h2-13,15H,14H2,1H3,(H,24,28).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 401.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7769112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).