5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide

C40H40N2O4 — CID 11563467

IUPAC5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C40H40N2O4/c1-29-35(27-39(45-29,31-17-7-3-8-18-31)32-19-9-4-10-20-32)37(43)41-25-15-16-26-42-38(44)36-28-40(46-30(36)2,33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-14,17-24H,15-16,25-28H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyIZYTZENGZRLLEG-UHFFFAOYSA-N
MW612.77 g/mol
LogP7.28
Rot. Bonds11

About 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11563467) has the molecular formula C40H40N2O4 and a molecular weight of 612.77 g/mol. Its IUPAC name is 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11563467
Molecular FormulaC40H40N2O4
Molecular Weight612.77 g/mol
Exact Mass612.30
IUPAC Name5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C40H40N2O4/c1-29-35(27-39(45-29,31-17-7-3-8-18-31)32-19-9-4-10-20-32)37(43)41-25-15-16-26-42-38(44)36-28-40(46-30(36)2,33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-14,17-24H,15-16,25-28H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyIZYTZENGZRLLEG-UHFFFAOYSA-N
XLogP7.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide with MolForge

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Related Compounds

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CID 122459621
N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide;N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 157064596
N-[6-[(4-acetyl-2,2-diphenyl-3H-furan-5-yl)amino]hexyl]-3-oxobutanamide
CID 10528046
N-benzyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10642847
N-tert-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10664528
N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10688221
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CID 10711051
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11563467) is 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is IZYTZENGZRLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2O4/c1-29-35(27-39(45-29,31-17-7-3-8-18-31)32-19-9-4-10-20-32)37(43)41-25-15-16-26-42-38(44)36-28-40(46-30(36)2,33-21-11-5-12-22-33)34-23-13-6-14-24-34/h3-14,17-24H,15-16,25-28H2,1-2H3,(H,41,43)(H,42,44).
What are the key properties of 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 612.77 g/mol, XLogP of 7.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11563467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).