[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

C25H27N2O3+ — CID 8795869

IUPAC[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1cccc([C@H](CNC(=O)Cc2coc3ccc4ccccc4c23)[NH+](C)C)c1
InChIInChI=1S/C25H26N2O3/c1-27(2)22(18-8-6-9-20(13-18)29-3)15-26-24(28)14-19-16-30-23-12-11-17-7-4-5-10-21(17)25(19)23/h4-13,16,22H,14-15H2,1-3H3,(H,26,28)/p+1/t22-/m0/s1
InChIKeyWVCBMPNLPUCUBV-QFIPXVFZSA-O
MW403.50 g/mol
LogP3.14
Rot. Bonds7

About [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 8795869) has the molecular formula C25H27N2O3+ and a molecular weight of 403.50 g/mol. Its IUPAC name is [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID8795869
Molecular FormulaC25H27N2O3+
Molecular Weight403.50 g/mol
Exact Mass403.20
IUPAC Name[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1cccc([C@H](CNC(=O)Cc2coc3ccc4ccccc4c23)[NH+](C)C)c1
InChIInChI=1S/C25H26N2O3/c1-27(2)22(18-8-6-9-20(13-18)29-3)15-26-24(28)14-19-16-30-23-12-11-17-7-4-5-10-21(17)25(19)23/h4-13,16,22H,14-15H2,1-3H3,(H,26,28)/p+1/t22-/m0/s1
InChIKeyWVCBMPNLPUCUBV-QFIPXVFZSA-O
XLogP3.14
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium with MolForge

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
[(1S)-1-(3-methoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]ethyl]-dimethylazanium
CID 9263009
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504369
[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796033
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
CID 9094777
[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795978
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium (CID 8795869) is [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium is COc1cccc([C@H](CNC(=O)Cc2coc3ccc4ccccc4c23)[NH+](C)C)c1.
What is the InChIKey of [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is WVCBMPNLPUCUBV-QFIPXVFZSA-O. The full InChI is InChI=1S/C25H26N2O3/c1-27(2)22(18-8-6-9-20(13-18)29-3)15-26-24(28)14-19-16-30-23-12-11-17-7-4-5-10-21(17)25(19)23/h4-13,16,22H,14-15H2,1-3H3,(H,26,28)/p+1/t22-/m0/s1.
What are the key properties of [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium?
[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 403.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 8795869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).