N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C19H24F3N3O — CID 30667289

IUPACN-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O/c1-25(12-15-6-8-16(9-7-15)19(20,21)22)13-17(26)24-18(14-23)10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,24,26)
InChIKeyRYUPSZLJFXLZCP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.87
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 30667289) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID30667289
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O/c1-25(12-15-6-8-16(9-7-15)19(20,21)22)13-17(26)24-18(14-23)10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,24,26)
InChIKeyRYUPSZLJFXLZCP-UHFFFAOYSA-N
XLogP3.87
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 38357458
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221696
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 9136887

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 30667289) is N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is CN(CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is RYUPSZLJFXLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-25(12-15-6-8-16(9-7-15)19(20,21)22)13-17(26)24-18(14-23)10-4-2-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H,24,26).
What are the key properties of N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 367.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 30667289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).