N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C18H17N5O3 — CID 2997508

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H17N5O3/c1-12-4-2-3-5-14(12)18-20-22-23(21-18)10-17(24)19-9-13-6-7-15-16(8-13)26-11-25-15/h2-8H,9-11H2,1H3,(H,19,24)
InChIKeyUHJPGKSMWMCOFX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.69
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 2997508) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID2997508
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H17N5O3/c1-12-4-2-3-5-14(12)18-20-22-23(21-18)10-17(24)19-9-13-6-7-15-16(8-13)26-11-25-15/h2-8H,9-11H2,1H3,(H,19,24)
InChIKeyUHJPGKSMWMCOFX-UHFFFAOYSA-N
XLogP1.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
Cjd-hdl-113-2
CID 53262912
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 53347981
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
2-[cyclohexyl-[2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53377445
CID 53393835
CID 53393835
2-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
CID 1080291
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 648011
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 2997508) is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is UHJPGKSMWMCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-4-2-3-5-14(12)18-20-22-23(21-18)10-17(24)19-9-13-6-7-15-16(8-13)26-11-25-15/h2-8H,9-11H2,1H3,(H,19,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2997508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).