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

C18H19N5O — CID 3170956

IUPACN-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)C(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C18H19N5O/c1-2-14-10-6-7-11-16(14)19-18(24)15(17-20-22-23-21-17)12-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyAGPPMTWNXQCTHM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.73
Rot. Bonds6

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

N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3170956) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3170956
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)C(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C18H19N5O/c1-2-14-10-6-7-11-16(14)19-18(24)15(17-20-22-23-21-17)12-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyAGPPMTWNXQCTHM-UHFFFAOYSA-N
XLogP2.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide (CID 3170956) is N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide is CCc1ccccc1NC(=O)C(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is AGPPMTWNXQCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-14-10-6-7-11-16(14)19-18(24)15(17-20-22-23-21-17)12-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide?
N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-phenyl-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3170956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).