2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide

C23H28N2O4 — CID 87016044

IUPAC2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)CN(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(22-14-19-6-4-5-7-21(19)29-22)25(2)16-23(26)24-15-18-8-10-20(11-9-18)28-13-12-27-3/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyJQKMUABHZFTUOX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.77
Rot. Bonds10

About 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide

2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 87016044) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID87016044
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)CN(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(22-14-19-6-4-5-7-21(19)29-22)25(2)16-23(26)24-15-18-8-10-20(11-9-18)28-13-12-27-3/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyJQKMUABHZFTUOX-UHFFFAOYSA-N
XLogP3.77
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 46551665
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 87016044) is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1ccc(CNC(=O)CN(C)C(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is JQKMUABHZFTUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(22-14-19-6-4-5-7-21(19)29-22)25(2)16-23(26)24-15-18-8-10-20(11-9-18)28-13-12-27-3/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide?
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 87016044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).