N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C20H21NO3 — CID 2669460

IUPACN-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2,3)21-19(22)18-16(13-23-14-9-5-4-6-10-14)15-11-7-8-12-17(15)24-18/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyGFYJFCLWQQKBHO-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.54
Rot. Bonds4

About N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 2669460) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID2669460
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2,3)21-19(22)18-16(13-23-14-9-5-4-6-10-14)15-11-7-8-12-17(15)24-18/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyGFYJFCLWQQKBHO-UHFFFAOYSA-N
XLogP4.54
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 2669460) is N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GFYJFCLWQQKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,3)21-19(22)18-16(13-23-14-9-5-4-6-10-14)15-11-7-8-12-17(15)24-18/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2669460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).