3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide

C24H28N2O4 — CID 2979888

IUPAC3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccc(CC)o3)c2)o1
InChIInChI=1S/C24H28N2O4/c1-3-19-8-10-21(29-19)12-14-23(27)25-17-6-5-7-18(16-17)26-24(28)15-13-22-11-9-20(4-2)30-22/h5-11,16H,3-4,12-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFOSQFBKRCUXZOK-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.14
Rot. Bonds10

About 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide

3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide (PubChem CID 2979888) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide
PubChem CID2979888
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccc(CC)o3)c2)o1
InChIInChI=1S/C24H28N2O4/c1-3-19-8-10-21(29-19)12-14-23(27)25-17-6-5-7-18(16-17)26-24(28)15-13-22-11-9-20(4-2)30-22/h5-11,16H,3-4,12-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFOSQFBKRCUXZOK-UHFFFAOYSA-N
XLogP5.14
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
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N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
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N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
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3-(5-ethylfuran-2-yl)-N-(1H-indazol-7-yl)propanamide
CID 126421502
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
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3-(5-phenylfuran-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
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N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide?
The IUPAC name of 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide (CID 2979888) is 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide is CCc1ccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccc(CC)o3)c2)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide?
The InChIKey is FOSQFBKRCUXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-19-8-10-21(29-19)12-14-23(27)25-17-6-5-7-18(16-17)26-24(28)15-13-22-11-9-20(4-2)30-22/h5-11,16H,3-4,12-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide?
3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 2979888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).