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

C39H38N2O4 — CID 11592428

IUPAC5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C39H38N2O4/c1-28-34(26-38(44-28,30-16-7-3-8-17-30)31-18-9-4-10-19-31)36(42)40-24-15-25-41-37(43)35-27-39(45-29(35)2,32-20-11-5-12-21-32)33-22-13-6-14-23-33/h3-14,16-23H,15,24-27H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyHFBAKXBSQROPJV-UHFFFAOYSA-N
MW598.74 g/mol
LogP6.89
Rot. Bonds10

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

5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11592428) has the molecular formula C39H38N2O4 and a molecular weight of 598.74 g/mol. Its IUPAC name is 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11592428
Molecular FormulaC39H38N2O4
Molecular Weight598.74 g/mol
Exact Mass598.28
IUPAC Name5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C39H38N2O4/c1-28-34(26-38(44-28,30-16-7-3-8-17-30)31-18-9-4-10-19-31)36(42)40-24-15-25-41-37(43)35-27-39(45-29(35)2,32-20-11-5-12-21-32)33-22-13-6-14-23-33/h3-14,16-23H,15,24-27H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyHFBAKXBSQROPJV-UHFFFAOYSA-N
XLogP6.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.74
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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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
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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
N-(2-hydroxyethyl)-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10711051
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
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5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11592428) is 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is HFBAKXBSQROPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N2O4/c1-28-34(26-38(44-28,30-16-7-3-8-17-30)31-18-9-4-10-19-31)36(42)40-24-15-25-41-37(43)35-27-39(45-29(35)2,32-20-11-5-12-21-32)33-22-13-6-14-23-33/h3-14,16-23H,15,24-27H2,1-2H3,(H,40,42)(H,41,43).
What are the key properties of 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 598.74 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11592428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).