N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide

C18H23NO3 — CID 705284

IUPACN-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C
InChIInChI=1S/C18H23NO3/c1-5-21-17-9-7-6-8-16(17)19-18(20)15-11-14(10-12(2)3)22-13(15)4/h6-9,11-12H,5,10H2,1-4H3,(H,19,20)
InChIKeyWYTBYQZYJIGCBO-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.44
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide

N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide (PubChem CID 705284) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide
PubChem CID705284
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C
InChIInChI=1S/C18H23NO3/c1-5-21-17-9-7-6-8-16(17)19-18(20)15-11-14(10-12(2)3)22-13(15)4/h6-9,11-12H,5,10H2,1-4H3,(H,19,20)
InChIKeyWYTBYQZYJIGCBO-UHFFFAOYSA-N
XLogP4.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide (CID 705284) is N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide is CCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is WYTBYQZYJIGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-21-17-9-7-6-8-16(17)19-18(20)15-11-14(10-12(2)3)22-13(15)4/h6-9,11-12H,5,10H2,1-4H3,(H,19,20).
What are the key properties of N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 705284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).