N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C19H21N5O4 — CID 4882934

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-23(11-14-7-8-17(26-2)18(9-14)27-3)19(25)12-28-16-6-4-5-15(10-16)24-13-20-21-22-24/h4-10,13H,11-12H2,1-3H3
InChIKeyQTFGUISTHUSTGT-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.72
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 4882934) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID4882934
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-23(11-14-7-8-17(26-2)18(9-14)27-3)19(25)12-28-16-6-4-5-15(10-16)24-13-20-21-22-24/h4-10,13H,11-12H2,1-3H3
InChIKeyQTFGUISTHUSTGT-UHFFFAOYSA-N
XLogP1.72
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 4882934) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1ccc(CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is QTFGUISTHUSTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-23(11-14-7-8-17(26-2)18(9-14)27-3)19(25)12-28-16-6-4-5-15(10-16)24-13-20-21-22-24/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 383.41 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 4882934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).