N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide

C28H34N2O4 — CID 10528046

IUPACN-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C28H34N2O4/c1-21(31)19-26(33)29-17-11-3-4-12-18-30-27-25(22(2)32)20-28(34-27,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,30H,3-4,11-12,17-20H2,1-2H3,(H,29,33)
InChIKeyOFGQPFMRAZKBSF-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.40
Rot. Bonds13

About N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide

N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide (PubChem CID 10528046) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
PubChem CID10528046
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C28H34N2O4/c1-21(31)19-26(33)29-17-11-3-4-12-18-30-27-25(22(2)32)20-28(34-27,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,30H,3-4,11-12,17-20H2,1-2H3,(H,29,33)
InChIKeyOFGQPFMRAZKBSF-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.40
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-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-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-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10688221
1-[5-(benzylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10737836
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 10740812
N-[3-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]propyl]-3-oxobutanamide
CID 10764612
5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11513093
5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11563467
5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11578244
5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11592428
5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11599827
5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11664642
5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11718399

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide?
The IUPAC name of N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide (CID 10528046) is N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide.
What is the SMILES notation for N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide?
The canonical SMILES for N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide is CC(=O)CC(=O)NCCCCCCNC1=C(C(C)=O)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide?
The InChIKey is OFGQPFMRAZKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-21(31)19-26(33)29-17-11-3-4-12-18-30-27-25(22(2)32)20-28(34-27,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,30H,3-4,11-12,17-20H2,1-2H3,(H,29,33).
What are the key properties of N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide?
N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide has a molecular weight of 462.59 g/mol, XLogP of 4.40, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide is sourced from PubChem (CID 10528046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).