2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C17H23F3N6O — CID 23723578

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N6O/c1-12(2)25(3)10-15-22-23-24-26(15)11-16(27)21-8-7-13-5-4-6-14(9-13)17(18,19)20/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,27)
InChIKeyYHQXNWYAWBNVTI-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.89
Rot. Bonds8

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 23723578) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID23723578
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N6O/c1-12(2)25(3)10-15-22-23-24-26(15)11-16(27)21-8-7-13-5-4-6-14(9-13)17(18,19)20/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,27)
InChIKeyYHQXNWYAWBNVTI-UHFFFAOYSA-N
XLogP1.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]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

(R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)-4,4-difluoro-4-phenylbutyl)-2-methylpropanamide
CID 44560945
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
2-amino-N-{(R)-1-[1-(2-butylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-3-phenyl-propyl}-2-methyl-propionamide
CID 44434016
2-(tetrazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 16290307
US11845767, Example 253
CID 155738249
US11845767, Example 315
CID 170795414
US11845767, Example 319
CID 170795418
US11845767, Example 330
CID 170795429
US11845767, Example 331
CID 170795430
US11845767, Example 333
CID 170795432
US11845767, Example 334
CID 170795433
US11845767, Example 335
CID 170795434

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 23723578) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is YHQXNWYAWBNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-12(2)25(3)10-15-22-23-24-26(15)11-16(27)21-8-7-13-5-4-6-14(9-13)17(18,19)20/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,27).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 384.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 23723578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).