[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate

C18H22N2O4 — CID 7697673

IUPAC[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESCN(C(=O)COC(=O)COc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C18H22N2O4/c1-20(18(14-19)10-6-3-7-11-18)16(21)12-24-17(22)13-23-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyAAHMXQICJDPCBZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.29
Rot. Bonds6

About [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 7697673) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID7697673
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESCN(C(=O)COC(=O)COc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C18H22N2O4/c1-20(18(14-19)10-6-3-7-11-18)16(21)12-24-17(22)13-23-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyAAHMXQICJDPCBZ-UHFFFAOYSA-N
XLogP2.29
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate 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-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
CID 51173400
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 40698431
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-ethylbenzoate
CID 7364838
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 31097520
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850961
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727568
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate (CID 7697673) is [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate is CN(C(=O)COC(=O)COc1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is AAHMXQICJDPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20(18(14-19)10-6-3-7-11-18)16(21)12-24-17(22)13-23-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3.
What are the key properties of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate?
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 330.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 7697673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).