[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate

C19H27NO3 — CID 55315017

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCCN(C(=O)COC(=O)c1cc(C)ccc1C)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-4-20(16-8-6-5-7-9-16)18(21)13-23-19(22)17-12-14(2)10-11-15(17)3/h10-12,16H,4-9,13H2,1-3H3
InChIKeyCDECQSUZXIAUFT-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.64
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 55315017) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID55315017
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCCN(C(=O)COC(=O)c1cc(C)ccc1C)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-4-20(16-8-6-5-7-9-16)18(21)13-23-19(22)17-12-14(2)10-11-15(17)3/h10-12,16H,4-9,13H2,1-3H3
InChIKeyCDECQSUZXIAUFT-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61488844
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307564
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816551
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 55303964
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2381526

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate (CID 55315017) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate is CCN(C(=O)COC(=O)c1cc(C)ccc1C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is CDECQSUZXIAUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-20(16-8-6-5-7-9-16)18(21)13-23-19(22)17-12-14(2)10-11-15(17)3/h10-12,16H,4-9,13H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 317.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 55315017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).