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

C20H23N5O4 — CID 652916

IUPAC2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC
InChIInChI=1S/C20H23N5O4/c1-4-28-17-11-10-14(12-18(17)29-5-2)20-22-24-25(23-20)13-19(26)21-15-8-6-7-9-16(15)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26)
InChIKeyZQHPPAHNWHYOBT-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.78
Rot. Bonds9

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

2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 652916) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID652916
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC
InChIInChI=1S/C20H23N5O4/c1-4-28-17-11-10-14(12-18(17)29-5-2)20-22-24-25(23-20)13-19(26)21-15-8-6-7-9-16(15)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26)
InChIKeyZQHPPAHNWHYOBT-UHFFFAOYSA-N
XLogP2.78
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
CID 1080291
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 646240
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 648837
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-(2,5-dimethoxy-phenyl)-acetamide
CID 652799
2-[5-(2,3-Dimethoxy-phenyl)-tetrazol-2-yl]-N-(2,4-dimethyl-phenyl)-acetamide
CID 652944
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653769
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide (CID 652916) is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide is CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC.
What is the InChIKey of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZQHPPAHNWHYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-28-17-11-10-14(12-18(17)29-5-2)20-22-24-25(23-20)13-19(26)21-15-8-6-7-9-16(15)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26).
What are the key properties of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 652916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).