Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate

Name: Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₇NO₄ — CID 7117021

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate

SMILESCCCC(=O)Nc1c(C(=O)OCC)oc2ccccc12

InChIInChI=1S/C15H17NO4/c1-3-7-12(17)16-13-10-8-5-6-9-11(10)20-14(13)15(18)19-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)

InChIKeyLLDJFGAJRYUCAX-UHFFFAOYSA-N

MW275.30 g/mol

LogP3.35

Rot. Bonds5

About Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate

Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate (PubChem CID 7117021) has the molecular formula C₁₅H₁₇NO₄ and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name	Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate
PubChem CID	7117021
Molecular Formula	C₁₅H₁₇NO₄
Molecular Weight	275.30 g/mol
Exact Mass	275.12
IUPAC Name	ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate
SMILES	CCCC(=O)Nc1c(C(=O)OCC)oc2ccccc12
InChI	InChI=1S/C15H17NO4/c1-3-7-12(17)16-13-10-8-5-6-9-11(10)20-14(13)15(18)19-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKey	LLDJFGAJRYUCAX-UHFFFAOYSA-N
XLogP	3.35
TPSA	68.54 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.30
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate?

The IUPAC name of Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate (CID 7117021) is ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate.

What is the SMILES notation for Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate?

The canonical SMILES for Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate is CCCC(=O)Nc1c(C(=O)OCC)oc2ccccc12.

What is the InChIKey of Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate?

The InChIKey is LLDJFGAJRYUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-7-12(17)16-13-10-8-5-6-9-11(10)20-14(13)15(18)19-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).

What are the key properties of Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate?

Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-(butanoylamino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7117021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 7117021 — identifiers, structure, computed properties (public domain)

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