5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide

C25H28N2O4 — CID 10740812

IUPAC5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC(=O)CC(=O)NCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C25H28N2O4/c1-18(28)16-23(29)26-14-9-15-27-24(30)22-17-25(31-19(22)2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKMEXRLDPJFPNAK-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.23
Rot. Bonds9

About 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 10740812) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID10740812
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC(=O)CC(=O)NCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C25H28N2O4/c1-18(28)16-23(29)26-14-9-15-27-24(30)22-17-25(31-19(22)2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKMEXRLDPJFPNAK-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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 ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
CID 123235562
N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 11793579
N-(2-(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenamidoethyl)-5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-carboxamide
CID 51348449
N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348450
N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092614
N-[4-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]butyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092615
N-[4-(docosa-4,7,10,13,16,19-hexaenoylamino)butyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092618
N-[2-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092865
N-[3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]propyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092992
N-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)propyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092994
N-[3-[2-(docosa-4,7,10,13,16,19-hexaenoylamino)ethylamino]propyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67093084
N-[3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-oxopropyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67093299

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 10740812) is 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC(=O)CC(=O)NCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is KMEXRLDPJFPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-18(28)16-23(29)26-14-9-15-27-24(30)22-17-25(31-19(22)2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 10740812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).