ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate

C17H25NO3 — CID 65446307

IUPACethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
SMILESCCCN(CCc1ccc2c(c1)CCO2)CC(=O)OCC
InChIInChI=1S/C17H25NO3/c1-3-9-18(13-17(19)20-4-2)10-7-14-5-6-16-15(12-14)8-11-21-16/h5-6,12H,3-4,7-11,13H2,1-2H3
InChIKeyKPBQEJZCKNXECT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate

ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate (PubChem CID 65446307) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
PubChem CID65446307
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
SMILESCCCN(CCc1ccc2c(c1)CCO2)CC(=O)OCC
InChIInChI=1S/C17H25NO3/c1-3-9-18(13-17(19)20-4-2)10-7-14-5-6-16-15(12-14)8-11-21-16/h5-6,12H,3-4,7-11,13H2,1-2H3
InChIKeyKPBQEJZCKNXECT-UHFFFAOYSA-N
XLogP2.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 77069714
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
CID 65431778
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl-propylamino]acetic acid
CID 122071314
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
ethyl 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]tetrazole-5-carboxylate
CID 79309313
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
ethyl 4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]butanoate
CID 111563790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate?
The IUPAC name of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate (CID 65446307) is ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate is CCCN(CCc1ccc2c(c1)CCO2)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate?
The InChIKey is KPBQEJZCKNXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-9-18(13-17(19)20-4-2)10-7-14-5-6-16-15(12-14)8-11-21-16/h5-6,12H,3-4,7-11,13H2,1-2H3.
What are the key properties of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate?
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate is sourced from PubChem (CID 65446307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).