5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide

C16H19NO2 — CID 2742902

IUPAC5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H19NO2/c1-11-13(10-14(19-11)16(2,3)4)15(18)17-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,18)
InChIKeyXFQLBWGICHUUDL-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.14
Rot. Bonds2

About 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide

5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide (PubChem CID 2742902) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
PubChem CID2742902
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H19NO2/c1-11-13(10-14(19-11)16(2,3)4)15(18)17-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,18)
InChIKeyXFQLBWGICHUUDL-UHFFFAOYSA-N
XLogP4.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-methyl-N-phenylfuran-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

Related Compounds

5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 788752
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
CID 748446
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide
CID 142760526
1-(5-tert-butyl-2-methylfuran-3-yl)-2-methylpropan-1-one
CID 58782087
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
CID 120528782
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide (CID 2742902) is 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide is Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide?
The InChIKey is XFQLBWGICHUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-13(10-14(19-11)16(2,3)4)15(18)17-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide?
5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide is sourced from PubChem (CID 2742902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).