N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide

C17H21NO3 — CID 1244003

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H21NO3/c1-11-13(8-9-21-11)16(19)18-14-10-12(17(2,3)4)6-7-15(14)20-5/h6-10H,1-5H3,(H,18,19)
InChIKeySSJUYGFHOQNWIU-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.15
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 1244003) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID1244003
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H21NO3/c1-11-13(8-9-21-11)16(19)18-14-10-12(17(2,3)4)6-7-15(14)20-5/h6-10H,1-5H3,(H,18,19)
InChIKeySSJUYGFHOQNWIU-UHFFFAOYSA-N
XLogP4.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide (CID 1244003) is N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is SSJUYGFHOQNWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-13(8-9-21-11)16(19)18-14-10-12(17(2,3)4)6-7-15(14)20-5/h6-10H,1-5H3,(H,18,19).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1244003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).