ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

C17H23NO3 — CID 60997932

IUPACethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23NO3/c1-2-20-17(19)16(18-14-5-3-4-6-14)13-7-8-15-12(11-13)9-10-21-15/h7-8,11,14,16,18H,2-6,9-10H2,1H3
InChIKeyLOSJXNJTHAMZCL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 60997932) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID60997932
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23NO3/c1-2-20-17(19)16(18-14-5-3-4-6-14)13-7-8-15-12(11-13)9-10-21-15/h7-8,11,14,16,18H,2-6,9-10H2,1H3
InChIKeyLOSJXNJTHAMZCL-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
ethyl 4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]butanoate
CID 64579498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (CID 60997932) is ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is CCOC(=O)C(NC1CCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is LOSJXNJTHAMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-20-17(19)16(18-14-5-3-4-6-14)13-7-8-15-12(11-13)9-10-21-15/h7-8,11,14,16,18H,2-6,9-10H2,1H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 289.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 60997932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).