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

C20H23N5O4 — CID 4963679

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C20H23N5O4/c1-24(10-9-15-7-8-18(27-2)19(11-15)28-3)20(26)13-29-17-6-4-5-16(12-17)25-14-21-22-23-25/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeySPQHBGOBKPFUDK-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.76
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 4963679) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID4963679
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C20H23N5O4/c1-24(10-9-15-7-8-18(27-2)19(11-15)28-3)20(26)13-29-17-6-4-5-16(12-17)25-14-21-22-23-25/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeySPQHBGOBKPFUDK-UHFFFAOYSA-N
XLogP1.76
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 4963679) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1ccc(CCN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is SPQHBGOBKPFUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-24(10-9-15-7-8-18(27-2)19(11-15)28-3)20(26)13-29-17-6-4-5-16(12-17)25-14-21-22-23-25/h4-8,11-12,14H,9-10,13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 397.44 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 4963679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).