5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide

C17H20N2O4 — CID 155950157

IUPAC5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide
SMILESCC(C)c1cccc(OCC(=O)NCc2cc(C(N)=O)co2)c1
InChIInChI=1S/C17H20N2O4/c1-11(2)12-4-3-5-14(6-12)23-10-16(20)19-8-15-7-13(9-22-15)17(18)21/h3-7,9,11H,8,10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyAKKXVFXFMWEGHT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.20
Rot. Bonds7

About 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide

5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide (PubChem CID 155950157) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide
PubChem CID155950157
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide
SMILESCC(C)c1cccc(OCC(=O)NCc2cc(C(N)=O)co2)c1
InChIInChI=1S/C17H20N2O4/c1-11(2)12-4-3-5-14(6-12)23-10-16(20)19-8-15-7-13(9-22-15)17(18)21/h3-7,9,11H,8,10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyAKKXVFXFMWEGHT-UHFFFAOYSA-N
XLogP2.20
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55693906
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745280
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide?
The IUPAC name of 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide (CID 155950157) is 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide?
The canonical SMILES for 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide is CC(C)c1cccc(OCC(=O)NCc2cc(C(N)=O)co2)c1.
What is the InChIKey of 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide?
The InChIKey is AKKXVFXFMWEGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)12-4-3-5-14(6-12)23-10-16(20)19-8-15-7-13(9-22-15)17(18)21/h3-7,9,11H,8,10H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide?
5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide is sourced from PubChem (CID 155950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).