N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide

C25H28N2O4 — CID 10764612

IUPACN-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H28N2O4/c1-18(28)16-23(30)26-14-9-15-27-24-22(19(2)29)17-25(31-24,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,27H,9,14-17H2,1-2H3,(H,26,30)
InChIKeyIIFSDMSLXZZOAT-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.23
Rot. Bonds10

About N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide

N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide (PubChem CID 10764612) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide
PubChem CID10764612
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H28N2O4/c1-18(28)16-23(30)26-14-9-15-27-24-22(19(2)29)17-25(31-24,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,27H,9,14-17H2,1-2H3,(H,26,30)
InChIKeyIIFSDMSLXZZOAT-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide 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

1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10520804
N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
CID 10528046
1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10639649
N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10688221
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 10740812
1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10759251
5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11718399
5-methyl-N-[4-(3-oxobutanoylamino)butyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861434
5-methyl-N-[5-(3-oxobutanoylamino)pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861435
5-methyl-N-[6-(3-oxobutanoylamino)hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861436
5-methyl-N-[7-(3-oxobutanoylamino)heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861437
5-methyl-N-[8-(3-oxobutanoylamino)octyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861438

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide?
The IUPAC name of N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide (CID 10764612) is N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide?
The canonical SMILES for N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide is CC(=O)CC(=O)NCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide?
The InChIKey is IIFSDMSLXZZOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-18(28)16-23(30)26-14-9-15-27-24-22(19(2)29)17-25(31-24,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,27H,9,14-17H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide?
N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide has a molecular weight of 420.51 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide is sourced from PubChem (CID 10764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).