5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one

C17H17NO4 — CID 22061523

IUPAC5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(CNc2ccc3c(c2)COC3=O)c(OC)c1
InChIInChI=1S/C17H17NO4/c1-20-14-5-3-11(16(8-14)21-2)9-18-13-4-6-15-12(7-13)10-22-17(15)19/h3-8,18H,9-10H2,1-2H3
InChIKeyCMYVIZRWZDZSOV-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.99
Rot. Bonds5

About 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one

5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one (PubChem CID 22061523) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
PubChem CID22061523
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(CNc2ccc3c(c2)COC3=O)c(OC)c1
InChIInChI=1S/C17H17NO4/c1-20-14-5-3-11(16(8-14)21-2)9-18-13-4-6-15-12(7-13)10-22-17(15)19/h3-8,18H,9-10H2,1-2H3
InChIKeyCMYVIZRWZDZSOV-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 58649196
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one (CID 22061523) is 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one is COc1ccc(CNc2ccc3c(c2)COC3=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one?
The InChIKey is CMYVIZRWZDZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-14-5-3-11(16(8-14)21-2)9-18-13-4-6-15-12(7-13)10-22-17(15)19/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one?
5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one has a molecular weight of 299.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 22061523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).