2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide

C13H18N2O3 — CID 61328585

IUPAC2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
SMILESCC1Cc2cc(C(N)COCC(N)=O)ccc2O1
InChIInChI=1S/C13H18N2O3/c1-8-4-10-5-9(2-3-12(10)18-8)11(14)6-17-7-13(15)16/h2-3,5,8,11H,4,6-7,14H2,1H3,(H2,15,16)
InChIKeyZFPMAIQTRCVMFL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide

2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide (PubChem CID 61328585) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
PubChem CID61328585
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
SMILESCC1Cc2cc(C(N)COCC(N)=O)ccc2O1
InChIInChI=1S/C13H18N2O3/c1-8-4-10-5-9(2-3-12(10)18-8)11(14)6-17-7-13(15)16/h2-3,5,8,11H,4,6-7,14H2,1H3,(H2,15,16)
InChIKeyZFPMAIQTRCVMFL-UHFFFAOYSA-N
XLogP0.51
TPSA87.57 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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
2-[2-amino-2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethoxy]acetamide
CID 104526058
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-[2-amino-2-(4-tert-butylphenyl)ethoxy]acetamide
CID 61329935
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 43297145
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 43297160
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide (CID 61328585) is 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide is CC1Cc2cc(C(N)COCC(N)=O)ccc2O1.
What is the InChIKey of 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide?
The InChIKey is ZFPMAIQTRCVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-10-5-9(2-3-12(10)18-8)11(14)6-17-7-13(15)16/h2-3,5,8,11H,4,6-7,14H2,1H3,(H2,15,16).
What are the key properties of 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide?
2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide is sourced from PubChem (CID 61328585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).