N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide

C19H26FN3O2 — CID 25496922

IUPACN-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-22(12-13-25-17-9-5-4-8-16(17)20)14-18(24)23(2)19(15-21)10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChIKeyUYXSOWURJHVOML-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.82
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide (PubChem CID 25496922) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
PubChem CID25496922
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-22(12-13-25-17-9-5-4-8-16(17)20)14-18(24)23(2)19(15-21)10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChIKeyUYXSOWURJHVOML-UHFFFAOYSA-N
XLogP2.82
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850961
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40761196
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60572836
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 26387602
2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 75445714
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide (CID 25496922) is N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide is CN(CCOc1ccccc1F)CC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide?
The InChIKey is UYXSOWURJHVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-22(12-13-25-17-9-5-4-8-16(17)20)14-18(24)23(2)19(15-21)10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide has a molecular weight of 347.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 25496922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).