N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide

C19H19N5O5 — CID 8768217

IUPACN-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1cc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)ccc1OC
InChIInChI=1S/C19H19N5O5/c1-3-27-16-8-12(4-6-14(16)26-2)19-21-23-24(22-19)10-18(25)20-13-5-7-15-17(9-13)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,20,25)
InChIKeyPMAVGJWKJSJPFF-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.11
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 8768217) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID8768217
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1cc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)ccc1OC
InChIInChI=1S/C19H19N5O5/c1-3-27-16-8-12(4-6-14(16)26-2)19-21-23-24(22-19)10-18(25)20-13-5-7-15-17(9-13)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,20,25)
InChIKeyPMAVGJWKJSJPFF-UHFFFAOYSA-N
XLogP2.11
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
CID 9381448
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
N-(1,3-benzodioxol-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620402
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 859093
N-(1,3-benzodioxol-5-yl)-2-[5-(2-bromophenyl)tetrazol-2-yl]acetamide
CID 7963833
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide (CID 8768217) is N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide is CCOc1cc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)ccc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PMAVGJWKJSJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-3-27-16-8-12(4-6-14(16)26-2)19-21-23-24(22-19)10-18(25)20-13-5-7-15-17(9-13)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 397.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 8768217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).