5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C17H21NO4 — CID 892168

IUPAC5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C17H21NO4/c1-4-20-13-5-7-14(8-6-13)21-11-15-9-10-16(22-15)17(19)18-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,19)
InChIKeyNORBGSUDIXHISF-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.40
Rot. Bonds7

About 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 892168) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID892168
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C17H21NO4/c1-4-20-13-5-7-14(8-6-13)21-11-15-9-10-16(22-15)17(19)18-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,19)
InChIKeyNORBGSUDIXHISF-UHFFFAOYSA-N
XLogP3.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 892168) is 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)NC(C)C)o2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is NORBGSUDIXHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-20-13-5-7-14(8-6-13)21-11-15-9-10-16(22-15)17(19)18-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).