N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide

C23H24N2O3 — CID 46271038

IUPACN-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H24N2O3/c1-15-4-5-18(14-16(15)2)22-12-10-21(28-22)11-13-23(27)25-20-8-6-19(7-9-20)24-17(3)26/h4-10,12,14H,11,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRHAOLSWDPXKSBW-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.09
Rot. Bonds6

About N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide

N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide (PubChem CID 46271038) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
PubChem CID46271038
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H24N2O3/c1-15-4-5-18(14-16(15)2)22-12-10-21(28-22)11-13-23(27)25-20-8-6-19(7-9-20)24-17(3)26/h4-10,12,14H,11,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRHAOLSWDPXKSBW-UHFFFAOYSA-N
XLogP5.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide (CID 46271038) is N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide is CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide?
The InChIKey is RHAOLSWDPXKSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-4-5-18(14-16(15)2)22-12-10-21(28-22)11-13-23(27)25-20-8-6-19(7-9-20)24-17(3)26/h4-10,12,14H,11,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide?
N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 46271038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).