3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide

C14H20N2O3 — CID 63097104

IUPAC3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
SMILESCCCNC1COc2cc(OCCC(N)=O)ccc21
InChIInChI=1S/C14H20N2O3/c1-2-6-16-12-9-19-13-8-10(3-4-11(12)13)18-7-5-14(15)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H2,15,17)
InChIKeyJBUQPNKQDMGNGP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds7

About 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide

3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide (PubChem CID 63097104) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide.

Molecular Properties

Compound Name3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
PubChem CID63097104
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
SMILESCCCNC1COc2cc(OCCC(N)=O)ccc21
InChIInChI=1S/C14H20N2O3/c1-2-6-16-12-9-19-13-8-10(3-4-11(12)13)18-7-5-14(15)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H2,15,17)
InChIKeyJBUQPNKQDMGNGP-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
CID 63949104
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096227
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide?
The IUPAC name of 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide (CID 63097104) is 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide.
What is the SMILES notation for 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide?
The canonical SMILES for 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide is CCCNC1COc2cc(OCCC(N)=O)ccc21.
What is the InChIKey of 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide?
The InChIKey is JBUQPNKQDMGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-16-12-9-19-13-8-10(3-4-11(12)13)18-7-5-14(15)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H2,15,17).
What are the key properties of 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide?
3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide is sourced from PubChem (CID 63097104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).