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

C14H18N2O4 — CID 19078627

IUPACN-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c2c(c(C)c1[N+](=O)[O-])OC(C)(C)C2
InChIInChI=1S/C14H18N2O4/c1-7-10-6-14(4,5)20-13(10)8(2)12(16(18)19)11(7)15-9(3)17/h6H2,1-5H3,(H,15,17)
InChIKeyFAGCEBMEMPNLLZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.88
Rot. Bonds2

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

N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide (PubChem CID 19078627) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide
PubChem CID19078627
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c2c(c(C)c1[N+](=O)[O-])OC(C)(C)C2
InChIInChI=1S/C14H18N2O4/c1-7-10-6-14(4,5)20-13(10)8(2)12(16(18)19)11(7)15-9(3)17/h6H2,1-5H3,(H,15,17)
InChIKeyFAGCEBMEMPNLLZ-UHFFFAOYSA-N
XLogP2.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
CID 10633481
2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-amine
CID 10752288
5-Acetylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10776887
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
CID 10849016
N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
CID 10540431
N-(4-amino-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
CID 10658205
N-(2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-yl)acetamide
CID 10850201
n-(6-Nitro-2,3-dihydrobenzofuran-5-yl)acetamide
CID 13069186
N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
CID 15229615
2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-amine;hydrochloride
CID 19078590
6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride
CID 19078610
6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine
CID 19078611

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide (CID 19078627) is N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1c(C)c2c(c(C)c1[N+](=O)[O-])OC(C)(C)C2.
What is the InChIKey of N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is FAGCEBMEMPNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-7-10-6-14(4,5)20-13(10)8(2)12(16(18)19)11(7)15-9(3)17/h6H2,1-5H3,(H,15,17).
What are the key properties of N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide?
N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,7-tetramethyl-6-nitro-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 19078627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).