N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C21H25N5O4 — CID 7768705

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1OCC
InChIInChI=1S/C21H25N5O4/c1-3-28-19-9-8-16(12-20(19)29-4-2)10-11-22-21(27)14-30-18-7-5-6-17(13-18)26-15-23-24-25-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,22,27)
InChIKeyXMZYPWNYVSLRQE-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.20
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7768705) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7768705
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1OCC
InChIInChI=1S/C21H25N5O4/c1-3-28-19-9-8-16(12-20(19)29-4-2)10-11-22-21(27)14-30-18-7-5-6-17(13-18)26-15-23-24-25-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,22,27)
InChIKeyXMZYPWNYVSLRQE-UHFFFAOYSA-N
XLogP2.20
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7768705) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CCOc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is XMZYPWNYVSLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-3-28-19-9-8-16(12-20(19)29-4-2)10-11-22-21(27)14-30-18-7-5-6-17(13-18)26-15-23-24-25-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7768705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).