5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide

C43H46N2O4 — CID 11664642

IUPAC5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C43H46N2O4/c1-32-38(30-42(48-32,34-20-10-6-11-21-34)35-22-12-7-13-23-35)40(46)44-28-18-4-3-5-19-29-45-41(47)39-31-43(49-33(39)2,36-24-14-8-15-25-36)37-26-16-9-17-27-37/h6-17,20-27H,3-5,18-19,28-31H2,1-2H3,(H,44,46)(H,45,47)
InChIKeyKCJIPCOYGZDCGA-UHFFFAOYSA-N
MW654.85 g/mol
LogP8.45
Rot. Bonds14

About 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11664642) has the molecular formula C43H46N2O4 and a molecular weight of 654.85 g/mol. Its IUPAC name is 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11664642
Molecular FormulaC43H46N2O4
Molecular Weight654.85 g/mol
Exact Mass654.35
IUPAC Name5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C43H46N2O4/c1-32-38(30-42(48-32,34-20-10-6-11-21-34)35-22-12-7-13-23-35)40(46)44-28-18-4-3-5-19-29-45-41(47)39-31-43(49-33(39)2,36-24-14-8-15-25-36)37-26-16-9-17-27-37/h6-17,20-27H,3-5,18-19,28-31H2,1-2H3,(H,44,46)(H,45,47)
InChIKeyKCJIPCOYGZDCGA-UHFFFAOYSA-N
XLogP8.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.85
LogP ≤ 58.45
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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(2-Methyl-1-phenylpropan-2-yl) 2-[7-[[2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoyl]amino]heptylcarbamoyl]benzoate
CID 60075643
2-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclohexane-1,2-dicarboxamide
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
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
CID 10740812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11664642) is 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is KCJIPCOYGZDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N2O4/c1-32-38(30-42(48-32,34-20-10-6-11-21-34)35-22-12-7-13-23-35)40(46)44-28-18-4-3-5-19-29-45-41(47)39-31-43(49-33(39)2,36-24-14-8-15-25-36)37-26-16-9-17-27-37/h6-17,20-27H,3-5,18-19,28-31H2,1-2H3,(H,44,46)(H,45,47).
What are the key properties of 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 654.85 g/mol, XLogP of 8.45, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11664642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).