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

C21H25N7O2 — CID 646660

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C21H25N7O2/c1-26(2)17-9-7-16(8-10-17)21-23-25-28(24-21)15-20(29)22-18-5-3-4-6-19(18)27-11-13-30-14-12-27/h3-10H,11-15H2,1-2H3,(H,22,29)
InChIKeySASDCBJYMSBVNQ-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.88
Rot. Bonds6

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

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 646660) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID646660
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C21H25N7O2/c1-26(2)17-9-7-16(8-10-17)21-23-25-28(24-21)15-20(29)22-18-5-3-4-6-19(18)27-11-13-30-14-12-27/h3-10H,11-15H2,1-2H3,(H,22,29)
InChIKeySASDCBJYMSBVNQ-UHFFFAOYSA-N
XLogP1.88
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
[5-(4-Morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetic acid cyclohexyl ester
CID 646384
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
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
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 1132849

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 646660) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is SASDCBJYMSBVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-26(2)17-9-7-16(8-10-17)21-23-25-28(24-21)15-20(29)22-18-5-3-4-6-19(18)27-11-13-30-14-12-27/h3-10H,11-15H2,1-2H3,(H,22,29).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 407.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 646660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).