N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C17H22F3N3O2 — CID 9221456

IUPACN-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O2/c1-23(10-12-6-8-13(9-7-12)17(18,19)20)11-15(24)22-16(25)21-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,21,22,24,25)
InChIKeyUJROXDUFYLUXNL-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.91
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 9221456) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID9221456
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O2/c1-23(10-12-6-8-13(9-7-12)17(18,19)20)11-15(24)22-16(25)21-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,21,22,24,25)
InChIKeyUJROXDUFYLUXNL-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 9221456) is N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is UJROXDUFYLUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-23(10-12-6-8-13(9-7-12)17(18,19)20)11-15(24)22-16(25)21-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,21,22,24,25).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 357.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 9221456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).