5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide

C17H20N2O4 — CID 78878517

IUPAC5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(COC)o2)c1
InChIInChI=1S/C17H20N2O4/c1-3-9-18-16(20)12-5-4-6-13(10-12)19-17(21)15-8-7-14(23-15)11-22-2/h4-8,10H,3,9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQCDDONQUHOWNRI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.82
Rot. Bonds7

About 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 78878517) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID78878517
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(COC)o2)c1
InChIInChI=1S/C17H20N2O4/c1-3-9-18-16(20)12-5-4-6-13(10-12)19-17(21)15-8-7-14(23-15)11-22-2/h4-8,10H,3,9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQCDDONQUHOWNRI-UHFFFAOYSA-N
XLogP2.82
TPSA80.57 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243546
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 78867824
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide (CID 78878517) is 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2ccc(COC)o2)c1.
What is the InChIKey of 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is QCDDONQUHOWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-9-18-16(20)12-5-4-6-13(10-12)19-17(21)15-8-7-14(23-15)11-22-2/h4-8,10H,3,9,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 78878517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).