2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate

C20H31NO2 — CID 3166

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IUPAC2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyAGJBLWCLQCKRJP-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.24
Rot. Bonds8

About 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate

2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate (PubChem CID 3166) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
PubChem CID3166
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyAGJBLWCLQCKRJP-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Cyclopentolate
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CID 5750
Oxyphenonium
CID 5749
Oxyphenonium Bromide
CID 5748
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Aprofene
CID 71128

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate (CID 3166) is 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate is CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate?
The InChIKey is AGJBLWCLQCKRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate?
2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate has a molecular weight of 317.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate is sourced from PubChem (CID 3166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).