ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate

C17H25NO3 — CID 60998655

IUPACethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H25NO3/c1-4-21-17(20)15(18-14-7-5-6-8-14)13-9-11(2)16(19)12(3)10-13/h9-10,14-15,18-19H,4-8H2,1-3H3
InChIKeyBBUVIGNEBSMJPO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate

ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate (PubChem CID 60998655) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
PubChem CID60998655
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H25NO3/c1-4-21-17(20)15(18-14-7-5-6-8-14)13-9-11(2)16(19)12(3)10-13/h9-10,14-15,18-19H,4-8H2,1-3H3
InChIKeyBBUVIGNEBSMJPO-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 60997932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate (CID 60998655) is ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate is CCOC(=O)C(NC1CCCC1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The InChIKey is BBUVIGNEBSMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-21-17(20)15(18-14-7-5-6-8-14)13-9-11(2)16(19)12(3)10-13/h9-10,14-15,18-19H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate has a molecular weight of 291.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate is sourced from PubChem (CID 60998655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).