N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

C21H24N6O2 — CID 645326

IUPACN-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C21H24N6O2/c1-15-4-3-5-16(2)20(15)22-19(28)14-27-24-21(23-25-27)17-6-8-18(9-7-17)26-10-12-29-13-11-26/h3-9H,10-14H2,1-2H3,(H,22,28)
InChIKeyZUTNKPAJLDTBSE-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.43
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 645326) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID645326
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C21H24N6O2/c1-15-4-3-5-16(2)20(15)22-19(28)14-27-24-21(23-25-27)17-6-8-18(9-7-17)26-10-12-29-13-11-26/h3-9H,10-14H2,1-2H3,(H,22,28)
InChIKeyZUTNKPAJLDTBSE-UHFFFAOYSA-N
XLogP2.43
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,3-Diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16736327
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4-morpholin-4-ylmethyl-phenyl)-tetrazol-2-yl]-ethanone
CID 646381
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
CID 1157274
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide
CID 2224231
4-{4-[2-(5-Phenyl-tetrazol-2-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 6603560
N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372491

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (CID 645326) is N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is ZUTNKPAJLDTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-4-3-5-16(2)20(15)22-19(28)14-27-24-21(23-25-27)17-6-8-18(9-7-17)26-10-12-29-13-11-26/h3-9H,10-14H2,1-2H3,(H,22,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 645326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).