2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C20H22N6O2 — CID 644884

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O2/c1-15-6-8-16(9-7-15)20-22-24-26(23-20)14-19(27)21-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H,21,27)
InChIKeyVBWXASODMWCOJG-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.12
Rot. Bonds5

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 644884) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID644884
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O2/c1-15-6-8-16(9-7-15)20-22-24-26(23-20)14-19(27)21-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H,21,27)
InChIKeyVBWXASODMWCOJG-UHFFFAOYSA-N
XLogP2.12
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.12
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-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
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-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
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
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
4-{4-[2-(5-Phenyl-tetrazol-2-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 6603560
3-Methyl-N-{2-[2-(2-morpholin-4-yl-2-oxo-ethyl)-2H-tetrazol-5-yl]-phenyl}-butyramide
CID 650637
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7278076

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 644884) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is VBWXASODMWCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-6-8-16(9-7-15)20-22-24-26(23-20)14-19(27)21-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H,21,27).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 644884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).