2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide

C24H30N2O3 — CID 23833451

IUPAC2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide
SMILESCCN(CCO)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C24H30N2O3/c1-5-26(12-13-27)20-9-7-19(8-10-20)25-23(28)14-17-16-29-22-11-6-18(15-21(17)22)24(2,3)4/h6-11,15-16,27H,5,12-14H2,1-4H3,(H,25,28)
InChIKeyJOIYGZATTLXSKZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.73
Rot. Bonds7

About 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide

2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide (PubChem CID 23833451) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide
PubChem CID23833451
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide
SMILESCCN(CCO)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C24H30N2O3/c1-5-26(12-13-27)20-9-7-19(8-10-20)25-23(28)14-17-16-29-22-11-6-18(15-21(17)22)24(2,3)4/h6-11,15-16,27H,5,12-14H2,1-4H3,(H,25,28)
InChIKeyJOIYGZATTLXSKZ-UHFFFAOYSA-N
XLogP4.73
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide?
The IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide (CID 23833451) is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide is CCN(CCO)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide?
The InChIKey is JOIYGZATTLXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-26(12-13-27)20-9-7-19(8-10-20)25-23(28)14-17-16-29-22-11-6-18(15-21(17)22)24(2,3)4/h6-11,15-16,27H,5,12-14H2,1-4H3,(H,25,28).
What are the key properties of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide?
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide is sourced from PubChem (CID 23833451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).