2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide

C21H26N2O4 — CID 119121988

IUPAC2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1OCC(N)=O
InChIInChI=1S/C21H26N2O4/c1-21(2)10-16-8-14(4-6-17(16)27-21)11-23-12-15-5-7-18(19(9-15)25-3)26-13-20(22)24/h4-9,23H,10-13H2,1-3H3,(H2,22,24)
InChIKeyQTCKNWRVFPSYCG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.56
Rot. Bonds8

About 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 119121988) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID119121988
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1OCC(N)=O
InChIInChI=1S/C21H26N2O4/c1-21(2)10-16-8-14(4-6-17(16)27-21)11-23-12-15-5-7-18(19(9-15)25-3)26-13-20(22)24/h4-9,23H,10-13H2,1-3H3,(H2,22,24)
InChIKeyQTCKNWRVFPSYCG-UHFFFAOYSA-N
XLogP2.56
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
CID 106235576
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide (CID 119121988) is 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is QTCKNWRVFPSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2)10-16-8-14(4-6-17(16)27-21)11-23-12-15-5-7-18(19(9-15)25-3)26-13-20(22)24/h4-9,23H,10-13H2,1-3H3,(H2,22,24).
What are the key properties of 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 119121988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).