[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate

C18H25NO5 — CID 5149215

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NC1CCCCC1C
InChIInChI=1S/C18H25NO5/c1-12-7-4-5-8-13(12)19-16(20)11-24-18(21)17-14(22-2)9-6-10-15(17)23-3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,20)
InChIKeyJRIVBAODVLPCKC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.56
Rot. Bonds6

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 5149215) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID5149215
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NC1CCCCC1C
InChIInChI=1S/C18H25NO5/c1-12-7-4-5-8-13(12)19-16(20)11-24-18(21)17-14(22-2)9-6-10-15(17)23-3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,20)
InChIKeyJRIVBAODVLPCKC-UHFFFAOYSA-N
XLogP2.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7394922
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 4846229
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991607
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2385493
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8872403
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627211
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 29182445
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 2562901
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2431386
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 2503845

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate (CID 5149215) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)NC1CCCCC1C.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is JRIVBAODVLPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12-7-4-5-8-13(12)19-16(20)11-24-18(21)17-14(22-2)9-6-10-15(17)23-3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 335.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 5149215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).