5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide

C42H44N2O4 — CID 11578244

IUPAC5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C42H44N2O4/c1-31-37(29-41(47-31,33-19-9-5-10-20-33)34-21-11-6-12-22-34)39(45)43-27-17-3-4-18-28-44-40(46)38-30-42(48-32(38)2,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-16,19-26H,3-4,17-18,27-30H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyJCBDJHPDOLXNGI-UHFFFAOYSA-N
MW640.82 g/mol
LogP8.06
Rot. Bonds13

About 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11578244) has the molecular formula C42H44N2O4 and a molecular weight of 640.82 g/mol. Its IUPAC name is 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11578244
Molecular FormulaC42H44N2O4
Molecular Weight640.82 g/mol
Exact Mass640.33
IUPAC Name5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C42H44N2O4/c1-31-37(29-41(47-31,33-19-9-5-10-20-33)34-21-11-6-12-22-34)39(45)43-27-17-3-4-18-28-44-40(46)38-30-42(48-32(38)2,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-16,19-26H,3-4,17-18,27-30H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyJCBDJHPDOLXNGI-UHFFFAOYSA-N
XLogP8.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.82
LogP ≤ 58.06
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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CID 69929603
N-octadecyl-6-(trityloxymethyl)cyclohex-3-ene-1-carboxamide
CID 21266145
N-[4-[1,1,2,2-tetraphenyl-2-[4-(prop-2-enoylamino)butoxy]ethoxy]butyl]prop-2-enamide
CID 53919188
(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-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11578244) is 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is JCBDJHPDOLXNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2O4/c1-31-37(29-41(47-31,33-19-9-5-10-20-33)34-21-11-6-12-22-34)39(45)43-27-17-3-4-18-28-44-40(46)38-30-42(48-32(38)2,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-16,19-26H,3-4,17-18,27-30H2,1-2H3,(H,43,45)(H,44,46).
What are the key properties of 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 640.82 g/mol, XLogP of 8.06, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11578244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).