[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate

C21H31NO5 — CID 55368833

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCN(C(=O)COC(=O)CCc1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C21H31NO5/c1-4-22(17-10-6-5-7-11-17)19(23)15-27-20(24)14-13-16-9-8-12-18(25-2)21(16)26-3/h8-9,12,17H,4-7,10-11,13-15H2,1-3H3
InChIKeyPXPLOMRCPICHOW-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.36
Rot. Bonds9

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55368833) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55368833
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCN(C(=O)COC(=O)CCc1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C21H31NO5/c1-4-22(17-10-6-5-7-11-17)19(23)15-27-20(24)14-13-16-9-8-12-18(25-2)21(16)26-3/h8-9,12,17H,4-7,10-11,13-15H2,1-3H3
InChIKeyPXPLOMRCPICHOW-UHFFFAOYSA-N
XLogP3.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404129
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014719
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
[2-oxo-2-(pentylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404179
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312583
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368657
ethyl (2S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate
CID 7446416
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (CID 55368833) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate is CCN(C(=O)COC(=O)CCc1cccc(OC)c1OC)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is PXPLOMRCPICHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5/c1-4-22(17-10-6-5-7-11-17)19(23)15-27-20(24)14-13-16-9-8-12-18(25-2)21(16)26-3/h8-9,12,17H,4-7,10-11,13-15H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 377.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55368833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).