5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide

C18H25NO4 — CID 122141282

IUPAC5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(CCOCCO)C(C)C)c2c1
InChIInChI=1S/C18H25NO4/c1-4-14-5-6-17-15(11-14)16(12-23-17)18(21)19(13(2)3)7-9-22-10-8-20/h5-6,11-13,20H,4,7-10H2,1-3H3
InChIKeyDNGBRDGDQHVDKV-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.85
Rot. Bonds8

About 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide

5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide (PubChem CID 122141282) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
PubChem CID122141282
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(CCOCCO)C(C)C)c2c1
InChIInChI=1S/C18H25NO4/c1-4-14-5-6-17-15(11-14)16(12-23-17)18(21)19(13(2)3)7-9-22-10-8-20/h5-6,11-13,20H,4,7-10H2,1-3H3
InChIKeyDNGBRDGDQHVDKV-UHFFFAOYSA-N
XLogP2.85
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide (CID 122141282) is 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)N(CCOCCO)C(C)C)c2c1.
What is the InChIKey of 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide?
The InChIKey is DNGBRDGDQHVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-14-5-6-17-15(11-14)16(12-23-17)18(21)19(13(2)3)7-9-22-10-8-20/h5-6,11-13,20H,4,7-10H2,1-3H3.
What are the key properties of 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide?
5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 122141282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).