N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide

C18H19N5O — CID 3170955

IUPACN-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c1C
InChIInChI=1S/C18H19N5O/c1-12-7-6-10-16(13(12)2)19-18(24)15(17-20-22-23-21-17)11-14-8-4-3-5-9-14/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyCIWTVNQVIAPPAR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.78
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide

N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3170955) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3170955
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c1C
InChIInChI=1S/C18H19N5O/c1-12-7-6-10-16(13(12)2)19-18(24)15(17-20-22-23-21-17)11-14-8-4-3-5-9-14/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyCIWTVNQVIAPPAR-UHFFFAOYSA-N
XLogP2.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide (CID 3170955) is N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide is Cc1cccc(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is CIWTVNQVIAPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-7-6-10-16(13(12)2)19-18(24)15(17-20-22-23-21-17)11-14-8-4-3-5-9-14/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3170955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).