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

C17H17N5O3 — CID 110743282

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-24-14-7-6-11(8-15(14)25-2)9-16(23)18-13-5-3-4-12(10-13)17-19-21-22-20-17/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyMRAXTKOPXORGOD-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.07
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 110743282) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID110743282
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-24-14-7-6-11(8-15(14)25-2)9-16(23)18-13-5-3-4-12(10-13)17-19-21-22-20-17/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyMRAXTKOPXORGOD-UHFFFAOYSA-N
XLogP2.07
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71497244
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
2-(3,4-dimethoxyphenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 26555064

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 110743282) is 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is MRAXTKOPXORGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-14-7-6-11(8-15(14)25-2)9-16(23)18-13-5-3-4-12(10-13)17-19-21-22-20-17/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 110743282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).