3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C19H21N5O2 — CID 3171026

IUPAC3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(CC(C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-13-7-9-14(10-8-13)11-17(18-21-23-24-22-18)19(25)20-15-5-4-6-16(12-15)26-2/h4-10,12,17H,3,11H2,1-2H3,(H,20,25)(H,21,22,23,24)
InChIKeyJLJMTJUPHRJTCG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3171026) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3171026
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(CC(C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-13-7-9-14(10-8-13)11-17(18-21-23-24-22-18)19(25)20-15-5-4-6-16(12-15)26-2/h4-10,12,17H,3,11H2,1-2H3,(H,20,25)(H,21,22,23,24)
InChIKeyJLJMTJUPHRJTCG-UHFFFAOYSA-N
XLogP2.74
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862574
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175088
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3171026) is 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccc(CC(C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is JLJMTJUPHRJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-13-7-9-14(10-8-13)11-17(18-21-23-24-22-18)19(25)20-15-5-4-6-16(12-15)26-2/h4-10,12,17H,3,11H2,1-2H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3171026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).