[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C17H22ClNO4 — CID 4242947

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H22ClNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20)
InChIKeyBRDGAWKTRFLHGL-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.96
Rot. Bonds6

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 4242947) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID4242947
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H22ClNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20)
InChIKeyBRDGAWKTRFLHGL-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 5023013
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016
2-(2-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 833323
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
N-[4-(4-chlorophenoxy)-2-butyn-1-yl]-2-methylcyclohexanamine oxalate
CID 2961435
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 4355323
2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
CID 16015362
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 24982029
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2119737

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 4242947) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is CC1CCCCC1NC(=O)COC(=O)COc1ccccc1Cl.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is BRDGAWKTRFLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-12-6-2-4-8-14(12)19-16(20)10-23-17(21)11-22-15-9-5-3-7-13(15)18/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,20).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 339.82 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 4242947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).