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

C18H19N5O — CID 31891602

IUPAC3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-2-14-6-8-15(9-7-14)10-11-18(24)20-16-4-3-5-17(12-16)23-13-19-21-22-23/h3-9,12-13H,2,10-11H2,1H3,(H,20,24)
InChIKeySNJKQOPUSCLIOB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.80
Rot. Bonds6

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

3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 31891602) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID31891602
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-2-14-6-8-15(9-7-14)10-11-18(24)20-16-4-3-5-17(12-16)23-13-19-21-22-23/h3-9,12-13H,2,10-11H2,1H3,(H,20,24)
InChIKeySNJKQOPUSCLIOB-UHFFFAOYSA-N
XLogP2.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 119053119
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
CID 29452089
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide (CID 31891602) is 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide is CCc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is SNJKQOPUSCLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-14-6-8-15(9-7-14)10-11-18(24)20-16-4-3-5-17(12-16)23-13-19-21-22-23/h3-9,12-13H,2,10-11H2,1H3,(H,20,24).
What are the key properties of 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 31891602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).