2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide

C14H18N2O3 — CID 63095489

IUPAC2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc2c(c1)OCC2N)C1CC1
InChIInChI=1S/C14H18N2O3/c1-16(9-2-3-9)14(17)8-18-10-4-5-11-12(15)7-19-13(11)6-10/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyQDJFAIQJOVHHRK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide

2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 63095489) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
PubChem CID63095489
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc2c(c1)OCC2N)C1CC1
InChIInChI=1S/C14H18N2O3/c1-16(9-2-3-9)14(17)8-18-10-4-5-11-12(15)7-19-13(11)6-10/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyQDJFAIQJOVHHRK-UHFFFAOYSA-N
XLogP1.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
2-(4-carbamothioyl-3-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 102724327
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide (CID 63095489) is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1ccc2c(c1)OCC2N)C1CC1.
What is the InChIKey of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is QDJFAIQJOVHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(9-2-3-9)14(17)8-18-10-4-5-11-12(15)7-19-13(11)6-10/h4-6,9,12H,2-3,7-8,15H2,1H3.
What are the key properties of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide?
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 63095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).