[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate

C17H29NO3 — CID 4531146

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCC1CCCC(NC(=O)COC(=O)CC2CCCC2)C1C
InChIInChI=1S/C17H29NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyVAPQCMLOOCJQDS-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.05
Rot. Bonds5

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 4531146) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID4531146
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCC1CCCC(NC(=O)COC(=O)CC2CCCC2)C1C
InChIInChI=1S/C17H29NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyVAPQCMLOOCJQDS-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate (CID 4531146) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate is CC1CCCC(NC(=O)COC(=O)CC2CCCC2)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is VAPQCMLOOCJQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 295.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 4531146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).