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

C19H21N5O3 — CID 652944

IUPAC2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC
InChIInChI=1S/C19H21N5O3/c1-12-8-9-15(13(2)10-12)20-17(25)11-24-22-19(21-23-24)14-6-5-7-16(26-3)18(14)27-4/h5-10H,11H2,1-4H3,(H,20,25)
InChIKeySVNNMOMOSVWSTI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.61
Rot. Bonds6

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

2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 652944) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID652944
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC
InChIInChI=1S/C19H21N5O3/c1-12-8-9-15(13(2)10-12)20-17(25)11-24-22-19(21-23-24)14-6-5-7-16(26-3)18(14)27-4/h5-10H,11H2,1-4H3,(H,20,25)
InChIKeySVNNMOMOSVWSTI-UHFFFAOYSA-N
XLogP2.61
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
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-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
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-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916
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-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide (CID 652944) is 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide is COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC.
What is the InChIKey of 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is SVNNMOMOSVWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-8-9-15(13(2)10-12)20-17(25)11-24-22-19(21-23-24)14-6-5-7-16(26-3)18(14)27-4/h5-10H,11H2,1-4H3,(H,20,25).
What are the key properties of 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).