2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide

C13H18N2O2 — CID 54896080

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)9-14-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeyMJGBSBQBYKLXFQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide (PubChem CID 54896080) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
PubChem CID54896080
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)9-14-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeyMJGBSBQBYKLXFQ-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489564
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61004474
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutyl)acetamide
CID 61487190
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide (CID 54896080) is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNCC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide?
The InChIKey is MJGBSBQBYKLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)13(16)9-14-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide?
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide has a molecular weight of 234.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 54896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).