3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C26H34N6O2 — CID 76643046

IUPAC3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(C)(C)C)c2)cc1
InChIInChI=1S/C26H34N6O2/c1-18-6-8-20(9-7-18)21-14-22(24(33)27-19(2)17-31-10-12-34-13-11-31)16-23(15-21)32-25(26(3,4)5)28-29-30-32/h6-9,14-16,19H,10-13,17H2,1-5H3,(H,27,33)
InChIKeyVQIZUUDRJGRDMB-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.39
Rot. Bonds6

About 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 76643046) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID76643046
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(C)(C)C)c2)cc1
InChIInChI=1S/C26H34N6O2/c1-18-6-8-20(9-7-18)21-14-22(24(33)27-19(2)17-31-10-12-34-13-11-31)16-23(15-21)32-25(26(3,4)5)28-29-30-32/h6-9,14-16,19H,10-13,17H2,1-5H3,(H,27,33)
InChIKeyVQIZUUDRJGRDMB-UHFFFAOYSA-N
XLogP3.39
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
CID 76643078
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
CID 122505964
3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 76643056
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 69004303
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640815
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyanopropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640848
1-[3-(5-tert-butyltetrazol-1-yl)-5-(4-chlorophenyl)phenyl]-3,3-dimethylbutan-1-one
CID 147723143
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 76643046) is 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3nnnc3C(C)(C)C)c2)cc1.
What is the InChIKey of 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is VQIZUUDRJGRDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-18-6-8-20(9-7-18)21-14-22(24(33)27-19(2)17-31-10-12-34-13-11-31)16-23(15-21)32-25(26(3,4)5)28-29-30-32/h6-9,14-16,19H,10-13,17H2,1-5H3,(H,27,33).
What are the key properties of 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 462.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 76643046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).