N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

C14H20N2O2 — CID 10658205

IUPACN-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1N)CC(C)(C)O2
InChIInChI=1S/C14H20N2O2/c1-7-8(2)13-10(6-14(4,5)18-13)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17)
InChIKeyXIKDUVDOJJICRP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.56
Rot. Bonds1

About N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (PubChem CID 10658205) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
PubChem CID10658205
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1N)CC(C)(C)O2
InChIInChI=1S/C14H20N2O2/c1-7-8(2)13-10(6-14(4,5)18-13)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17)
InChIKeyXIKDUVDOJJICRP-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
CID 10488508
4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
CID 10633481
ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate
CID 10564490
N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
CID 10704113
N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10728357
5-Formylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10752118
5-Acetylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10776887
2,2,4,6,7-pentamethyl-N-propyl-3H-1-benzofuran-5-amine
CID 10800533
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
CID 10849016
1-(2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 66759731
5-Acetylamino-2,4,6,7-tetramethyl-2-[2-(4-fluorophenyl)ethyl]-2,3-dihydrobenzofuran
CID 23358488
N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
CID 54149678

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (CID 10658205) is N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1c(C)c(C)c2c(c1N)CC(C)(C)O2.
What is the InChIKey of N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is XIKDUVDOJJICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-7-8(2)13-10(6-14(4,5)18-13)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17).
What are the key properties of N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 10658205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).