2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide

C13H18N2O3 — CID 78911544

IUPAC2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
SMILESCOc1cc2c(cc1CNCC(N)=O)OC(C)C2
InChIInChI=1S/C13H18N2O3/c1-8-3-9-4-11(17-2)10(5-12(9)18-8)6-15-7-13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyDQUUMNYGFMUUKK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds5

About 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide (PubChem CID 78911544) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
PubChem CID78911544
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
SMILESCOc1cc2c(cc1CNCC(N)=O)OC(C)C2
InChIInChI=1S/C13H18N2O3/c1-8-3-9-4-11(17-2)10(5-12(9)18-8)6-15-7-13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyDQUUMNYGFMUUKK-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N-propylacetamide
CID 78910509
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 56812561
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
CID 115282644
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]but-2-ynamide
CID 166405428
1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
CID 78954759
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide?
The IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide (CID 78911544) is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide?
The canonical SMILES for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide is COc1cc2c(cc1CNCC(N)=O)OC(C)C2.
What is the InChIKey of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide?
The InChIKey is DQUUMNYGFMUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-3-9-4-11(17-2)10(5-12(9)18-8)6-15-7-13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide?
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide is sourced from PubChem (CID 78911544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).