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

C20H23N5O3 — CID 3694507

IUPAC3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C20H23N5O3/c1-12-5-6-13(2)17(9-12)21-20(26)16(19-22-24-25-23-19)10-14-7-8-15(27-3)11-18(14)28-4/h5-9,11,16H,10H2,1-4H3,(H,21,26)(H,22,23,24,25)
InChIKeyGOVQXEUYYAESFH-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.80
Rot. Bonds7

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

3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3694507) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3694507
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C20H23N5O3/c1-12-5-6-13(2)17(9-12)21-20(26)16(19-22-24-25-23-19)10-14-7-8-15(27-3)11-18(14)28-4/h5-9,11,16H,10H2,1-4H3,(H,21,26)(H,22,23,24,25)
InChIKeyGOVQXEUYYAESFH-UHFFFAOYSA-N
XLogP2.80
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 7289597
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3694507) is 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is GOVQXEUYYAESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-5-6-13(2)17(9-12)21-20(26)16(19-22-24-25-23-19)10-14-7-8-15(27-3)11-18(14)28-4/h5-9,11,16H,10H2,1-4H3,(H,21,26)(H,22,23,24,25).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.80, 7 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-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3694507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).