ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate

C17H25NO2 — CID 103882376

IUPACethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC1CCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-20-16(19)15(13-8-6-5-7-9-13)18-14-10-11-17(2,3)12-14/h5-9,14-15,18H,4,10-12H2,1-3H3
InChIKeyBVAUUQGYHPHTNH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds5

About ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate

ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate (PubChem CID 103882376) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate
PubChem CID103882376
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC1CCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-20-16(19)15(13-8-6-5-7-9-13)18-14-10-11-17(2,3)12-14/h5-9,14-15,18H,4,10-12H2,1-3H3
InChIKeyBVAUUQGYHPHTNH-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate (CID 103882376) is ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate is CCOC(=O)C(NC1CCC(C)(C)C1)c1ccccc1.
What is the InChIKey of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate?
The InChIKey is BVAUUQGYHPHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-16(19)15(13-8-6-5-7-9-13)18-14-10-11-17(2,3)12-14/h5-9,14-15,18H,4,10-12H2,1-3H3.
What are the key properties of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate?
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate has a molecular weight of 275.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate is sourced from PubChem (CID 103882376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).