N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide

C13H17N5O3 — CID 26212517

IUPACN-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnnn2)cc1OCC
InChIInChI=1S/C13H17N5O3/c1-3-20-11-6-5-10(7-12(11)21-4-2)15-13(19)8-18-9-14-16-17-18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyFLALFALJLZRUNE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.11
Rot. Bonds7

About N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide

N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 26212517) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID26212517
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnnn2)cc1OCC
InChIInChI=1S/C13H17N5O3/c1-3-20-11-6-5-10(7-12(11)21-4-2)15-13(19)8-18-9-14-16-17-18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyFLALFALJLZRUNE-UHFFFAOYSA-N
XLogP1.11
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide (CID 26212517) is N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide is CCOc1ccc(NC(=O)Cn2cnnn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is FLALFALJLZRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-20-11-6-5-10(7-12(11)21-4-2)15-13(19)8-18-9-14-16-17-18/h5-7,9H,3-4,8H2,1-2H3,(H,15,19).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide?
N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 26212517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).