4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide

C23H22N2O4 — CID 45195210

IUPAC4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3c2OC(CNC(=O)CCc2ccco2)C3)cc1
InChIInChI=1S/C23H22N2O4/c24-23(27)16-8-6-15(7-9-16)20-5-1-3-17-13-19(29-22(17)20)14-25-21(26)11-10-18-4-2-12-28-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)(H,25,26)
InChIKeyCRBWQIVOLMFSHY-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.10
Rot. Bonds7

About 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide

4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide (PubChem CID 45195210) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide
PubChem CID45195210
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3c2OC(CNC(=O)CCc2ccco2)C3)cc1
InChIInChI=1S/C23H22N2O4/c24-23(27)16-8-6-15(7-9-16)20-5-1-3-17-13-19(29-22(17)20)14-25-21(26)11-10-18-4-2-12-28-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)(H,25,26)
InChIKeyCRBWQIVOLMFSHY-UHFFFAOYSA-N
XLogP3.10
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide with MolForge

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Related Compounds

5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 126463924
3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42212363
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42398905
5-[(2S)-2-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 42449745
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-4-enamide
CID 126467343
3-(3,4-dimethoxyphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42248339
N-[[7-(4-methylperoxysulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 123490715
3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45177695
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
CID 56702059
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The IUPAC name of 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide (CID 45195210) is 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide is NC(=O)c1ccc(-c2cccc3c2OC(CNC(=O)CCc2ccco2)C3)cc1.
What is the InChIKey of 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The InChIKey is CRBWQIVOLMFSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c24-23(27)16-8-6-15(7-9-16)20-5-1-3-17-13-19(29-22(17)20)14-25-21(26)11-10-18-4-2-12-28-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)(H,25,26).
What are the key properties of 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide?
4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 45195210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).