2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide

C21H25N5O5 — CID 652799

IUPAC2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC
InChIInChI=1S/C21H25N5O5/c1-5-30-18-9-7-14(11-19(18)31-6-2)21-23-25-26(24-21)13-20(27)22-16-12-15(28-3)8-10-17(16)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyBOEASNBQOOOIQS-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.79
Rot. Bonds10

About 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide

2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 652799) has the molecular formula C21H25N5O5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID652799
Molecular FormulaC21H25N5O5
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC
InChIInChI=1S/C21H25N5O5/c1-5-30-18-9-7-14(11-19(18)31-6-2)21-23-25-26(24-21)13-20(27)22-16-12-15(28-3)8-10-17(16)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyBOEASNBQOOOIQS-UHFFFAOYSA-N
XLogP2.79
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(E)-3-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide
CID 13997731
(E)-3-(4-butoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide
CID 13997732
(E)-3-(3-pentoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide
CID 13997734
(E)-3-(4-pentoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide
CID 13997735
(E)-3-(4-hexoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide
CID 13997736
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 646240
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653769
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-phenyl-acetamide
CID 655633
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 656361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1071199

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide (CID 652799) is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide is CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC.
What is the InChIKey of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is BOEASNBQOOOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5/c1-5-30-18-9-7-14(11-19(18)31-6-2)21-23-25-26(24-21)13-20(27)22-16-12-15(28-3)8-10-17(16)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27).
What are the key properties of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 652799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).