N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C15H19NO3 — CID 2492577

IUPACN-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1
InChIInChI=1S/C15H19NO3/c1-9-11-8-10(18-5)6-7-12(11)19-13(9)14(17)16-15(2,3)4/h6-8H,1-5H3,(H,16,17)
InChIKeyAMOVQJGFXSLFSM-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.28
Rot. Bonds2

About N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2492577) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2492577
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1
InChIInChI=1S/C15H19NO3/c1-9-11-8-10(18-5)6-7-12(11)19-13(9)14(17)16-15(2,3)4/h6-8H,1-5H3,(H,16,17)
InChIKeyAMOVQJGFXSLFSM-UHFFFAOYSA-N
XLogP3.28
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2492577) is N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1.
What is the InChIKey of N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AMOVQJGFXSLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-11-8-10(18-5)6-7-12(11)19-13(9)14(17)16-15(2,3)4/h6-8H,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2492577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).