2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

C9H17N5O2 — CID 112603262

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O2/c1-6(8-11-13-14-12-8)10-7(15)5-16-9(2,3)4/h6H,5H2,1-4H3,(H,10,15)(H,11,12,13,14)
InChIKeyIOTDQJFNIJHCOW-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.19
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 112603262) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID112603262
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O2/c1-6(8-11-13-14-12-8)10-7(15)5-16-9(2,3)4/h6H,5H2,1-4H3,(H,10,15)(H,11,12,13,14)
InChIKeyIOTDQJFNIJHCOW-UHFFFAOYSA-N
XLogP0.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]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-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
2-(azetidin-3-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 64612043
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (CID 112603262) is 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is CC(NC(=O)COC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is IOTDQJFNIJHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(8-11-13-14-12-8)10-7(15)5-16-9(2,3)4/h6H,5H2,1-4H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 227.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 112603262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).