N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide

C17H21NO3 — CID 2918144

IUPACN-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
SMILESCC(COc1ccc(C(C)C)cc1)NC(=O)c1ccco1
InChIInChI=1S/C17H21NO3/c1-12(2)14-6-8-15(9-7-14)21-11-13(3)18-17(19)16-5-4-10-20-16/h4-10,12-13H,11H2,1-3H3,(H,18,19)
InChIKeyZGVLIRPUUSDGEV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.60
Rot. Bonds6

About N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide

N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide (PubChem CID 2918144) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
PubChem CID2918144
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
SMILESCC(COc1ccc(C(C)C)cc1)NC(=O)c1ccco1
InChIInChI=1S/C17H21NO3/c1-12(2)14-6-8-15(9-7-14)21-11-13(3)18-17(19)16-5-4-10-20-16/h4-10,12-13H,11H2,1-3H3,(H,18,19)
InChIKeyZGVLIRPUUSDGEV-UHFFFAOYSA-N
XLogP3.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide (CID 2918144) is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide is CC(COc1ccc(C(C)C)cc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide?
The InChIKey is ZGVLIRPUUSDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)14-6-8-15(9-7-14)21-11-13(3)18-17(19)16-5-4-10-20-16/h4-10,12-13H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide?
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2918144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).