N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide

C17H19N3O2 — CID 51173400

IUPACN-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(C#N)c1)C1(C#N)CCCCC1
InChIInChI=1S/C17H19N3O2/c1-20(17(13-19)8-3-2-4-9-17)16(21)12-22-15-7-5-6-14(10-15)11-18/h5-7,10H,2-4,8-9,12H2,1H3
InChIKeyQSMRTJKDONSMFG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.62
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide (PubChem CID 51173400) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
PubChem CID51173400
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(C#N)c1)C1(C#N)CCCCC1
InChIInChI=1S/C17H19N3O2/c1-20(17(13-19)8-3-2-4-9-17)16(21)12-22-15-7-5-6-14(10-15)11-18/h5-7,10H,2-4,8-9,12H2,1H3
InChIKeyQSMRTJKDONSMFG-UHFFFAOYSA-N
XLogP2.62
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 7382488
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-ethylbenzoate
CID 7364838
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
3-(2-oxopentoxy)benzonitrile
CID 62044494

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide (CID 51173400) is N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide is CN(C(=O)COc1cccc(C#N)c1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide?
The InChIKey is QSMRTJKDONSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20(17(13-19)8-3-2-4-9-17)16(21)12-22-15-7-5-6-14(10-15)11-18/h5-7,10H,2-4,8-9,12H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide has a molecular weight of 297.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide is sourced from PubChem (CID 51173400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).