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

C20H23N5O3 — CID 3610657

IUPAC3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyTZTPJWKGWKKMMI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.74
Rot. Bonds8

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

3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3610657) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3610657
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyTZTPJWKGWKKMMI-UHFFFAOYSA-N
XLogP2.74
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2S)-3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972561
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide
CID 53460566
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862574

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3610657) is 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is TZTPJWKGWKKMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3610657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).