N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C17H17N5O4 — CID 654687

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)o1
InChIInChI=1S/C17H17N5O4/c1-11-2-4-14(26-11)17-19-21-22(20-17)9-16(23)18-7-6-12-3-5-13-15(8-12)25-10-24-13/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)
InChIKeyYFFJHIZLAIPADV-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.33
Rot. Bonds6

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 654687) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID654687
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)o1
InChIInChI=1S/C17H17N5O4/c1-11-2-4-14(26-11)17-19-21-22(20-17)9-16(23)18-7-6-12-3-5-13-15(8-12)25-10-24-13/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)
InChIKeyYFFJHIZLAIPADV-UHFFFAOYSA-N
XLogP1.33
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 715379
N-Benzo[1,3]dioxol-5-ylmethyl-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 1373934
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 3179731
N-Cyclopentyl-2-((2-hydroxy-ethyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-hydroxy-3-methoxy-phenyl)-acetamide
CID 3180271
N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 3178575
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 3179718
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1081765
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 1175335
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1373933
N-Cyclopentyl-2-(3,4-dimethoxy-phenyl)-2-((2-hydroxy-ethyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-acetamide
CID 3180289

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 654687) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)o1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is YFFJHIZLAIPADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-11-2-4-14(26-11)17-19-21-22(20-17)9-16(23)18-7-6-12-3-5-13-15(8-12)25-10-24-13/h2-5,8H,6-7,9-10H2,1H3,(H,18,23).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 355.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 654687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).