3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide

C20H24N2O3 — CID 119934680

IUPAC3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
SMILESCC1(C)Cc2cc(CNc3ccccc3OCCC(N)=O)ccc2O1
InChIInChI=1S/C20H24N2O3/c1-20(2)12-15-11-14(7-8-17(15)25-20)13-22-16-5-3-4-6-18(16)24-10-9-19(21)23/h3-8,11,22H,9-10,12-13H2,1-2H3,(H2,21,23)
InChIKeyWSOOKWGIJPBGSD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.27
Rot. Bonds7

About 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide

3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide (PubChem CID 119934680) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
PubChem CID119934680
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
SMILESCC1(C)Cc2cc(CNc3ccccc3OCCC(N)=O)ccc2O1
InChIInChI=1S/C20H24N2O3/c1-20(2)12-15-11-14(7-8-17(15)25-20)13-22-16-5-3-4-6-18(16)24-10-9-19(21)23/h3-8,11,22H,9-10,12-13H2,1-2H3,(H2,21,23)
InChIKeyWSOOKWGIJPBGSD-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
CID 106235576
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119121988
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
3-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylaniline
CID 60722706
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide (CID 119934680) is 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide is CC1(C)Cc2cc(CNc3ccccc3OCCC(N)=O)ccc2O1.
What is the InChIKey of 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide?
The InChIKey is WSOOKWGIJPBGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2)12-15-11-14(7-8-17(15)25-20)13-22-16-5-3-4-6-18(16)24-10-9-19(21)23/h3-8,11,22H,9-10,12-13H2,1-2H3,(H2,21,23).
What are the key properties of 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide?
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 119934680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).