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

C24H26N2O4 — CID 11718399

IUPAC5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC(=O)CC(=O)NCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H26N2O4/c1-17(27)15-22(28)25-13-14-26-23(29)21-16-24(30-18(21)2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyABYPCOZIPWLMOY-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.84
Rot. Bonds8

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

5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11718399) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11718399
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC(=O)CC(=O)NCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H26N2O4/c1-17(27)15-22(28)25-13-14-26-23(29)21-16-24(30-18(21)2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyABYPCOZIPWLMOY-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.84
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'}

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Related Compounds

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]ethyl-methylamino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348452
N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl-methylamino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348600
N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethylamino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348747
N-(2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamidoethyl)-5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-carboxamide
CID 58219017
N-[2-(docosa-4,7,10,13,16,19-hexaenoylamino)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67085588
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-(docosa-4,7,10,13,16,19-hexaenoylamino)ethylamino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092760
N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-methylpropyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092892

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11718399) is 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC(=O)CC(=O)NCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is ABYPCOZIPWLMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17(27)15-22(28)25-13-14-26-23(29)21-16-24(30-18(21)2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-oxobutanoylamino)ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11718399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).