3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide

C18H19N5O3 — CID 86865604

IUPAC3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C18H19N5O3/c1-25-15-8-9-16(26-2)13(11-15)5-10-17(24)19-14-6-3-12(4-7-14)18-20-22-23-21-18/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyOTFDXTOGMQHHHH-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.46
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 86865604) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID86865604
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C18H19N5O3/c1-25-15-8-9-16(26-2)13(11-15)5-10-17(24)19-14-6-3-12(4-7-14)18-20-22-23-21-18/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyOTFDXTOGMQHHHH-UHFFFAOYSA-N
XLogP2.46
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
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2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
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2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
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2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
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3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
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3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide (CID 86865604) is 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide is COc1ccc(OC)c(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is OTFDXTOGMQHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-15-8-9-16(26-2)13(11-15)5-10-17(24)19-14-6-3-12(4-7-14)18-20-22-23-21-18/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 86865604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).