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

C17H23F3N6O — CID 56854414

IUPACN-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N6O/c1-12(2)24(3)10-15-21-22-23-26(15)11-16(27)25(4)9-13-6-5-7-14(8-13)17(18,19)20/h5-8,12H,9-11H2,1-4H3
InChIKeyCFHPBXMIZREKIQ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.19
Rot. Bonds7

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

N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 56854414) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID56854414
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC NameN-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N6O/c1-12(2)24(3)10-15-21-22-23-26(15)11-16(27)25(4)9-13-6-5-7-14(8-13)17(18,19)20/h5-8,12H,9-11H2,1-4H3
InChIKeyCFHPBXMIZREKIQ-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 23724008
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42155428
N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42244551
N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 87006809
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 112837529
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768441

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 56854414) is N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CFHPBXMIZREKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-12(2)24(3)10-15-21-22-23-26(15)11-16(27)25(4)9-13-6-5-7-14(8-13)17(18,19)20/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 384.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 56854414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).