N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide

C26H28N2O3 — CID 135368600

IUPACN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1COc2cc(OCc3cccc(-c4ccccc4)c3C)ccc21
InChIInChI=1S/C26H28N2O3/c1-18-21(9-6-10-23(18)20-7-4-3-5-8-20)16-30-22-11-12-24-25(17-31-26(24)15-22)28-14-13-27-19(2)29/h3-12,15,25,28H,13-14,16-17H2,1-2H3,(H,27,29)
InChIKeyHKBYZVJOBLKUGB-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.40
Rot. Bonds8

About N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide

N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide (PubChem CID 135368600) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide
PubChem CID135368600
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1COc2cc(OCc3cccc(-c4ccccc4)c3C)ccc21
InChIInChI=1S/C26H28N2O3/c1-18-21(9-6-10-23(18)20-7-4-3-5-8-20)16-30-22-11-12-24-25(17-31-26(24)15-22)28-14-13-27-19(2)29/h3-12,15,25,28H,13-14,16-17H2,1-2H3,(H,27,29)
InChIKeyHKBYZVJOBLKUGB-UHFFFAOYSA-N
XLogP4.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide (CID 135368600) is N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide is CC(=O)NCCNC1COc2cc(OCc3cccc(-c4ccccc4)c3C)ccc21.
What is the InChIKey of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide?
The InChIKey is HKBYZVJOBLKUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-21(9-6-10-23(18)20-7-4-3-5-8-20)16-30-22-11-12-24-25(17-31-26(24)15-22)28-14-13-27-19(2)29/h3-12,15,25,28H,13-14,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide?
N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide has a molecular weight of 416.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 135368600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).