[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C18H23Cl2NO3 — CID 11915073

IUPAC[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2NO3/c1-11-5-3-8-16(12(11)2)21-17(22)10-24-18(23)9-13-14(19)6-4-7-15(13)20/h4,6-7,11-12,16H,3,5,8-10H2,1-2H3,(H,21,22)/t11-,12-,16-/m1/s1
InChIKeyXGGPMYKWOKBJPI-XHBSWPGZSA-N
MW372.29 g/mol
LogP4.02
Rot. Bonds5

About [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 11915073) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID11915073
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2NO3/c1-11-5-3-8-16(12(11)2)21-17(22)10-24-18(23)9-13-14(19)6-4-7-15(13)20/h4,6-7,11-12,16H,3,5,8-10H2,1-2H3,(H,21,22)/t11-,12-,16-/m1/s1
InChIKeyXGGPMYKWOKBJPI-XHBSWPGZSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate with MolForge

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605978
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2434553
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 41152349
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 4648433
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 11907161
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 11914891
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 11907724
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 6597337

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 11915073) is [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is XGGPMYKWOKBJPI-XHBSWPGZSA-N. The full InChI is InChI=1S/C18H23Cl2NO3/c1-11-5-3-8-16(12(11)2)21-17(22)10-24-18(23)9-13-14(19)6-4-7-15(13)20/h4,6-7,11-12,16H,3,5,8-10H2,1-2H3,(H,21,22)/t11-,12-,16-/m1/s1.
What are the key properties of [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 372.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 11915073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).