N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C18H26N6O2 — CID 91957416

IUPACN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C)CC1(CNC(=O)Cc2ccc(-n3cnnn3)cc2)CCOCC1
InChIInChI=1S/C18H26N6O2/c1-23(2)13-18(7-9-26-10-8-18)12-19-17(25)11-15-3-5-16(6-4-15)24-14-20-21-22-24/h3-6,14H,7-13H2,1-2H3,(H,19,25)
InChIKeyPYWYGXKUEJMFPP-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.68
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 91957416) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID91957416
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C)CC1(CNC(=O)Cc2ccc(-n3cnnn3)cc2)CCOCC1
InChIInChI=1S/C18H26N6O2/c1-23(2)13-18(7-9-26-10-8-18)12-19-17(25)11-15-3-5-16(6-4-15)24-14-20-21-22-24/h3-6,14H,7-13H2,1-2H3,(H,19,25)
InChIKeyPYWYGXKUEJMFPP-UHFFFAOYSA-N
XLogP0.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]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-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 91954353
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630277
2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
CID 119218102
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94142976
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-[(2-phenylcyclopropyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71931856

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 91957416) is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN(C)CC1(CNC(=O)Cc2ccc(-n3cnnn3)cc2)CCOCC1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is PYWYGXKUEJMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-23(2)13-18(7-9-26-10-8-18)12-19-17(25)11-15-3-5-16(6-4-15)24-14-20-21-22-24/h3-6,14H,7-13H2,1-2H3,(H,19,25).
What are the key properties of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 91957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).