N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide

C14H19NO3 — CID 10729304

IUPACN-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(CO)O2
InChIInChI=1S/C14H19NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h7,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyPGVDVZDXURNBNW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds3

About N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide

N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide (PubChem CID 10729304) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
PubChem CID10729304
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(CO)O2
InChIInChI=1S/C14H19NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h7,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyPGVDVZDXURNBNW-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The IUPAC name of N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide (CID 10729304) is N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The canonical SMILES for N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide is Cc1c(C)c2c(c(C)c1NC=O)CC(C)(CO)O2.
What is the InChIKey of N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The InChIKey is PGVDVZDXURNBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h7,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide has a molecular weight of 249.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide is sourced from PubChem (CID 10729304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).