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

C25H32N6O2 — CID 76643078

IUPAC3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
SMILESCCCc1nnnn1-c1cc(C(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N6O2/c1-4-5-24-27-28-29-31(24)23-15-21(20-8-6-18(2)7-9-20)14-22(16-23)25(32)26-19(3)17-30-10-12-33-13-11-30/h6-9,14-16,19H,4-5,10-13,17H2,1-3H3,(H,26,32)
InChIKeyKJBXFLYQZCMVCF-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.04
Rot. Bonds8

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

3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide (PubChem CID 76643078) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
PubChem CID76643078
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
SMILESCCCc1nnnn1-c1cc(C(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N6O2/c1-4-5-24-27-28-29-31(24)23-15-21(20-8-6-18(2)7-9-20)14-22(16-23)25(32)26-19(3)17-30-10-12-33-13-11-30/h6-9,14-16,19H,4-5,10-13,17H2,1-3H3,(H,26,32)
InChIKeyKJBXFLYQZCMVCF-UHFFFAOYSA-N
XLogP3.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 76643046
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
CID 122505964
3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)benzoic acid
CID 69004448
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91341752
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-methylphenyl)-5-(5-propyltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505945
3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 69004303
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide (CID 76643078) is 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide is CCCc1nnnn1-c1cc(C(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide?
The InChIKey is KJBXFLYQZCMVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-4-5-24-27-28-29-31(24)23-15-21(20-8-6-18(2)7-9-20)14-22(16-23)25(32)26-19(3)17-30-10-12-33-13-11-30/h6-9,14-16,19H,4-5,10-13,17H2,1-3H3,(H,26,32).
What are the key properties of 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide?
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide is sourced from PubChem (CID 76643078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).