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

C19H18N6O4 — CID 9381448

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
SMILESCCc1ccc(-c2nnn(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H18N6O4/c1-2-12-3-5-13(6-4-12)18-22-24-25(23-18)10-17(26)21-19(27)20-14-7-8-15-16(9-14)29-11-28-15/h3-9H,2,10-11H2,1H3,(H2,20,21,26,27)
InChIKeySPGGOJNDGZXCOY-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.98
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide (PubChem CID 9381448) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
PubChem CID9381448
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
SMILESCCc1ccc(-c2nnn(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H18N6O4/c1-2-12-3-5-13(6-4-12)18-22-24-25(23-18)10-17(26)21-19(27)20-14-7-8-15-16(9-14)29-11-28-15/h3-9H,2,10-11H2,1H3,(H2,20,21,26,27)
InChIKeySPGGOJNDGZXCOY-UHFFFAOYSA-N
XLogP1.98
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
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
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8642989
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 16517224
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248269
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 1080255
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153092
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide (CID 9381448) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide is CCc1ccc(-c2nnn(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SPGGOJNDGZXCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-2-12-3-5-13(6-4-12)18-22-24-25(23-18)10-17(26)21-19(27)20-14-7-8-15-16(9-14)29-11-28-15/h3-9H,2,10-11H2,1H3,(H2,20,21,26,27).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9381448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).