N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide

C22H26N6O2 — CID 1157244

IUPACN-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c1C
InChIInChI=1S/C22H26N6O2/c1-16-4-3-5-20(17(16)2)23-21(29)15-28-25-22(24-26-28)19-8-6-18(7-9-19)14-27-10-12-30-13-11-27/h3-9H,10-15H2,1-2H3,(H,23,29)
InChIKeyDVCIOKVNQZHBMV-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.43
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 1157244) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID1157244
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c1C
InChIInChI=1S/C22H26N6O2/c1-16-4-3-5-20(17(16)2)23-21(29)15-28-25-22(24-26-28)19-8-6-18(7-9-19)14-27-10-12-30-13-11-27/h3-9H,10-15H2,1-2H3,(H,23,29)
InChIKeyDVCIOKVNQZHBMV-UHFFFAOYSA-N
XLogP2.43
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462998
N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3737072
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 861115
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234
N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166107
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide (CID 1157244) is N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide is Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is DVCIOKVNQZHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-4-3-5-20(17(16)2)23-21(29)15-28-25-22(24-26-28)19-8-6-18(7-9-19)14-27-10-12-30-13-11-27/h3-9H,10-15H2,1-2H3,(H,23,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).