N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide

C14H19NO2 — CID 10752118

IUPACN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(C)O2
InChIInChI=1S/C14H19NO2/c1-8-9(2)13-11(6-14(4,5)17-13)10(3)12(8)15-7-16/h7H,6H2,1-5H3,(H,15,16)
InChIKeySBVCCJRPZIAALS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.89
Rot. Bonds2

About N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide

N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide (PubChem CID 10752118) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide.

Molecular Properties

Compound NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide
PubChem CID10752118
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(C)O2
InChIInChI=1S/C14H19NO2/c1-8-9(2)13-11(6-14(4,5)17-13)10(3)12(8)15-7-16/h7H,6H2,1-5H3,(H,15,16)
InChIKeySBVCCJRPZIAALS-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide?
The IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide (CID 10752118) is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide.
What is the SMILES notation for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide?
The canonical SMILES for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide is Cc1c(C)c2c(c(C)c1NC=O)CC(C)(C)O2.
What is the InChIKey of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide?
The InChIKey is SBVCCJRPZIAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-9(2)13-11(6-14(4,5)17-13)10(3)12(8)15-7-16/h7H,6H2,1-5H3,(H,15,16).
What are the key properties of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide?
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide has a molecular weight of 233.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)formamide is sourced from PubChem (CID 10752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).