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

C15H22N2O3 — CID 106235576

IUPAC2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
SMILESCC1(C)Cc2cc(CNCCOCC(N)=O)ccc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2)8-12-7-11(3-4-13(12)20-15)9-17-5-6-19-10-14(16)18/h3-4,7,17H,5-6,8-10H2,1-2H3,(H2,16,18)
InChIKeyHAUCIEQINSVLIE-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.99
Rot. Bonds7

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

2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide (PubChem CID 106235576) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
PubChem CID106235576
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
SMILESCC1(C)Cc2cc(CNCCOCC(N)=O)ccc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2)8-12-7-11(3-4-13(12)20-15)9-17-5-6-19-10-14(16)18/h3-4,7,17H,5-6,8-10H2,1-2H3,(H2,16,18)
InChIKeyHAUCIEQINSVLIE-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
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-methylsulfanylethanamine
CID 63378459
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]methanesulfonamide
CID 63271377
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]-4-methoxybenzamide
CID 119121934
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
CID 115614318
3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide (CID 106235576) is 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide is CC1(C)Cc2cc(CNCCOCC(N)=O)ccc2O1.
What is the InChIKey of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide?
The InChIKey is HAUCIEQINSVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)8-12-7-11(3-4-13(12)20-15)9-17-5-6-19-10-14(16)18/h3-4,7,17H,5-6,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide?
2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide has a molecular weight of 278.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).