N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C23H21N5O2 — CID 7769206

IUPACN,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N5O2/c29-23(17-30-22-13-7-12-21(14-22)28-18-24-25-26-28)27(15-19-8-3-1-4-9-19)16-20-10-5-2-6-11-20/h1-14,18H,15-17H2
InChIKeyKQDBGISJOBPYKB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.27
Rot. Bonds8

About N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7769206) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7769206
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N5O2/c29-23(17-30-22-13-7-12-21(14-22)28-18-24-25-26-28)27(15-19-8-3-1-4-9-19)16-20-10-5-2-6-11-20/h1-14,18H,15-17H2
InChIKeyKQDBGISJOBPYKB-UHFFFAOYSA-N
XLogP3.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dibenzyl-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

Related Compounds

N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 8008408

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7769206) is N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is KQDBGISJOBPYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(17-30-22-13-7-12-21(14-22)28-18-24-25-26-28)27(15-19-8-3-1-4-9-19)16-20-10-5-2-6-11-20/h1-14,18H,15-17H2.
What are the key properties of N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7769206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).