3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide

C22H24N2O4 — CID 86064144

IUPAC3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
SMILESO=C(CCc1ccco1)NCc1cccc(CNC(=O)CCc2ccco2)c1
InChIInChI=1S/C22H24N2O4/c25-21(10-8-19-6-2-12-27-19)23-15-17-4-1-5-18(14-17)16-24-22(26)11-9-20-7-3-13-28-20/h1-7,12-14H,8-11,15-16H2,(H,23,25)(H,24,26)
InChIKeyKDICGPWVIHFWIN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.37
Rot. Bonds10

About 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide

3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide (PubChem CID 86064144) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
PubChem CID86064144
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
SMILESO=C(CCc1ccco1)NCc1cccc(CNC(=O)CCc2ccco2)c1
InChIInChI=1S/C22H24N2O4/c25-21(10-8-19-6-2-12-27-19)23-15-17-4-1-5-18(14-17)16-24-22(26)11-9-20-7-3-13-28-20/h1-7,12-14H,8-11,15-16H2,(H,23,25)(H,24,26)
InChIKeyKDICGPWVIHFWIN-UHFFFAOYSA-N
XLogP3.37
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-(furan-2-yl)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60630108
N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
CID 81430503
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide (CID 86064144) is 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide is O=C(CCc1ccco1)NCc1cccc(CNC(=O)CCc2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide?
The InChIKey is KDICGPWVIHFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(10-8-19-6-2-12-27-19)23-15-17-4-1-5-18(14-17)16-24-22(26)11-9-20-7-3-13-28-20/h1-7,12-14H,8-11,15-16H2,(H,23,25)(H,24,26).
What are the key properties of 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide?
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 86064144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).