ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate

C15H19NO3 — CID 80702154

IUPACethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
SMILESCCOC(=O)CCCNCc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-18-15(17)8-5-9-16-10-12-11-19-14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyDGJHHFLRHOQXGP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.87
Rot. Bonds7

About ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate

ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate (PubChem CID 80702154) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
PubChem CID80702154
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
SMILESCCOC(=O)CCCNCc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-18-15(17)8-5-9-16-10-12-11-19-14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyDGJHHFLRHOQXGP-UHFFFAOYSA-N
XLogP2.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.87
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

ethyl 4-[(2-ethyl-1-benzofuran-3-yl)methylamino]butanoate
CID 64578726
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
ethyl 4-(1-benzothiophen-3-ylmethylamino)butanoate
CID 64578346
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
CID 65072333
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
ethyl 4-[(2,3-difluorophenyl)methylamino]butanoate
CID 60720227
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate?
The IUPAC name of ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate (CID 80702154) is ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate.
What is the SMILES notation for ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate?
The canonical SMILES for ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate is CCOC(=O)CCCNCc1coc2ccccc12.
What is the InChIKey of ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate?
The InChIKey is DGJHHFLRHOQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-18-15(17)8-5-9-16-10-12-11-19-14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,2,5,8-10H2,1H3.
What are the key properties of ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate?
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate has a molecular weight of 261.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate is sourced from PubChem (CID 80702154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).