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

C18H19N5O2 — CID 23800634

IUPAC3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccccc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-5-3-4-6-16(12)19-18(24)15(17-20-22-23-21-17)11-13-7-9-14(25-2)10-8-13/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyJRRYRNHZDIUCNE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 23800634) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID23800634
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccccc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-5-3-4-6-16(12)19-18(24)15(17-20-22-23-21-17)11-13-7-9-14(25-2)10-8-13/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyJRRYRNHZDIUCNE-UHFFFAOYSA-N
XLogP2.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603040
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 23800634) is 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(CC(C(=O)Nc2ccccc2C)c2nn[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is JRRYRNHZDIUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-5-3-4-6-16(12)19-18(24)15(17-20-22-23-21-17)11-13-7-9-14(25-2)10-8-13/h3-10,15H,11H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 23800634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).