2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C18H21N5O4 — CID 1175335

IUPAC2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OCC
InChIInChI=1S/C18H21N5O4/c1-3-25-15-8-7-13(10-16(15)26-4-2)18-20-22-23(21-18)12-17(24)19-11-14-6-5-9-27-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,24)
InChIKeyBISPFBIKTLHLRB-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.05
Rot. Bonds9

About 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1175335) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1175335
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OCC
InChIInChI=1S/C18H21N5O4/c1-3-25-15-8-7-13(10-16(15)26-4-2)18-20-22-23(21-18)12-17(24)19-11-14-6-5-9-27-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,24)
InChIKeyBISPFBIKTLHLRB-UHFFFAOYSA-N
XLogP2.05
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 30823180
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
CID 5303488
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 17046913
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 23795781
2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylbutyl)pentanamide
CID 3179455

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 1175335) is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OCC.
What is the InChIKey of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BISPFBIKTLHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-3-25-15-8-7-13(10-16(15)26-4-2)18-20-22-23(21-18)12-17(24)19-11-14-6-5-9-27-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,24).
What are the key properties of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).