N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide

C22H25N3O2 — CID 32899810

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
SMILESCN(C(=O)CNc1ccccc1Oc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C22H25N3O2/c1-25(22(17-23)14-8-3-9-15-22)21(26)16-24-19-12-6-7-13-20(19)27-18-10-4-2-5-11-18/h2,4-7,10-13,24H,3,8-9,14-16H2,1H3
InChIKeyILYFCODNINJZBE-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.58
Rot. Bonds6

About N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide (PubChem CID 32899810) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
PubChem CID32899810
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
SMILESCN(C(=O)CNc1ccccc1Oc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C22H25N3O2/c1-25(22(17-23)14-8-3-9-15-22)21(26)16-24-19-12-6-7-13-20(19)27-18-10-4-2-5-11-18/h2,4-7,10-13,24H,3,8-9,14-16H2,1H3
InChIKeyILYFCODNINJZBE-UHFFFAOYSA-N
XLogP4.58
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
CID 78822833
2-(2-bromo-4-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 32906515
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 32899898
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40761196
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
CID 110025058
diethyl 5-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436854
N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
CID 51173400
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
CID 25496922

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide (CID 32899810) is N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide is CN(C(=O)CNc1ccccc1Oc1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide?
The InChIKey is ILYFCODNINJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25(22(17-23)14-8-3-9-15-22)21(26)16-24-19-12-6-7-13-20(19)27-18-10-4-2-5-11-18/h2,4-7,10-13,24H,3,8-9,14-16H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide is sourced from PubChem (CID 32899810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).