ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate

C14H17NO3 — CID 53397244

IUPACethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCc1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-2-17-14(16)7-8-15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9,15H,2,7-8,10H2,1H3
InChIKeyXAPGYKBRIQFPCM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.48
Rot. Bonds6

About ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate

ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate (PubChem CID 53397244) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
PubChem CID53397244
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCc1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-2-17-14(16)7-8-15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9,15H,2,7-8,10H2,1H3
InChIKeyXAPGYKBRIQFPCM-UHFFFAOYSA-N
XLogP2.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate?
The IUPAC name of ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate (CID 53397244) is ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate is CCOC(=O)CCNCc1cc2ccccc2o1.
What is the InChIKey of ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate?
The InChIKey is XAPGYKBRIQFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-17-14(16)7-8-15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9,15H,2,7-8,10H2,1H3.
What are the key properties of ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate?
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate has a molecular weight of 247.29 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate is sourced from PubChem (CID 53397244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).