2-benzamidoethyl 1-benzofuran-2-carboxylate

C18H15NO4 — CID 569920

IUPAC2-benzamidoethyl 1-benzofuran-2-carboxylate
SMILESO=C(NCCOC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-17(13-6-2-1-3-7-13)19-10-11-22-18(21)16-12-14-8-4-5-9-15(14)23-16/h1-9,12H,10-11H2,(H,19,20)
InChIKeyVBHBZHJOGYCYCR-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.02
Rot. Bonds5

About 2-benzamidoethyl 1-benzofuran-2-carboxylate

2-benzamidoethyl 1-benzofuran-2-carboxylate (PubChem CID 569920) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-benzamidoethyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-benzamidoethyl 1-benzofuran-2-carboxylate
PubChem CID569920
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-benzamidoethyl 1-benzofuran-2-carboxylate
SMILESO=C(NCCOC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-17(13-6-2-1-3-7-13)19-10-11-22-18(21)16-12-14-8-4-5-9-15(14)23-16/h1-9,12H,10-11H2,(H,19,20)
InChIKeyVBHBZHJOGYCYCR-UHFFFAOYSA-N
XLogP3.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.02
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-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
CID 3408102
N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
CID 115699680
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
hex-5-enyl 1-benzofuran-2-carboxylate
CID 154711242
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
2-benzamidoethyl thiophene-3-carboxylate
CID 71987556

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl 1-benzofuran-2-carboxylate?
The IUPAC name of 2-benzamidoethyl 1-benzofuran-2-carboxylate (CID 569920) is 2-benzamidoethyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-benzamidoethyl 1-benzofuran-2-carboxylate?
The canonical SMILES for 2-benzamidoethyl 1-benzofuran-2-carboxylate is O=C(NCCOC(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl 1-benzofuran-2-carboxylate?
The InChIKey is VBHBZHJOGYCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17(13-6-2-1-3-7-13)19-10-11-22-18(21)16-12-14-8-4-5-9-15(14)23-16/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 2-benzamidoethyl 1-benzofuran-2-carboxylate?
2-benzamidoethyl 1-benzofuran-2-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl 1-benzofuran-2-carboxylate is sourced from PubChem (CID 569920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).