N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C14H22F3N5O — CID 99605343

IUPACN-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESC[C@@H](CN(C)C(=O)CC1CCC(C(F)(F)F)CC1)c1nn[nH]n1
InChIInChI=1S/C14H22F3N5O/c1-9(13-18-20-21-19-13)8-22(2)12(23)7-10-3-5-11(6-4-10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19,20,21)/t9-,10?,11?/m0/s1
InChIKeyHNEFWGOCMNQVMN-WHXUTIOJSA-N
MW333.36 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 99605343) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID99605343
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC NameN-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESC[C@@H](CN(C)C(=O)CC1CCC(C(F)(F)F)CC1)c1nn[nH]n1
InChIInChI=1S/C14H22F3N5O/c1-9(13-18-20-21-19-13)8-22(2)12(23)7-10-3-5-11(6-4-10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19,20,21)/t9-,10?,11?/m0/s1
InChIKeyHNEFWGOCMNQVMN-WHXUTIOJSA-N
XLogP2.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 99605343) is N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is C[C@@H](CN(C)C(=O)CC1CCC(C(F)(F)F)CC1)c1nn[nH]n1.
What is the InChIKey of N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is HNEFWGOCMNQVMN-WHXUTIOJSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-9(13-18-20-21-19-13)8-22(2)12(23)7-10-3-5-11(6-4-10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19,20,21)/t9-,10?,11?/m0/s1.
What are the key properties of N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 99605343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).