2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide

C27H26N2O3 — CID 3930338

IUPAC2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
SMILESCC(=NOCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H26N2O3/c1-21(26-18-24-14-8-9-15-25(24)32-26)28-31-20-27(30)29(19-23-12-6-3-7-13-23)17-16-22-10-4-2-5-11-22/h2-15,18H,16-17,19-20H2,1H3
InChIKeyKMUYFIQEJOIJCP-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.44
Rot. Bonds9

About 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide (PubChem CID 3930338) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
PubChem CID3930338
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
SMILESCC(=NOCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H26N2O3/c1-21(26-18-24-14-8-9-15-25(24)32-26)28-31-20-27(30)29(19-23-12-6-3-7-13-23)17-16-22-10-4-2-5-11-22/h2-15,18H,16-17,19-20H2,1H3
InChIKeyKMUYFIQEJOIJCP-UHFFFAOYSA-N
XLogP5.44
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 5136485
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 139086407
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide (CID 3930338) is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide is CC(=NOCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide?
The InChIKey is KMUYFIQEJOIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-21(26-18-24-14-8-9-15-25(24)32-26)28-31-20-27(30)29(19-23-12-6-3-7-13-23)17-16-22-10-4-2-5-11-22/h2-15,18H,16-17,19-20H2,1H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3930338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).