4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide

C19H19N5O2 — CID 34549027

IUPAC4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-14-6-8-15(9-7-14)18(25)10-11-19(26)21-16-4-3-5-17(12-16)24-13-20-22-23-24/h3-9,12-13H,2,10-11H2,1H3,(H,21,26)
InChIKeyLMULHCMEYRSZMG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.83
Rot. Bonds7

About 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide

4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 34549027) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
PubChem CID34549027
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-14-6-8-15(9-7-14)18(25)10-11-19(26)21-16-4-3-5-17(12-16)24-13-20-22-23-24/h3-9,12-13H,2,10-11H2,1H3,(H,21,26)
InChIKeyLMULHCMEYRSZMG-UHFFFAOYSA-N
XLogP2.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide (CID 34549027) is 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide is CCc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is LMULHCMEYRSZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-14-6-8-15(9-7-14)18(25)10-11-19(26)21-16-4-3-5-17(12-16)24-13-20-22-23-24/h3-9,12-13H,2,10-11H2,1H3,(H,21,26).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide?
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 349.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 34549027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).