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

C41H42N2O4 — CID 11599827

IUPAC5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C41H42N2O4/c1-30-36(28-40(46-30,32-18-8-3-9-19-32)33-20-10-4-11-21-33)38(44)42-26-16-7-17-27-43-39(45)37-29-41(47-31(37)2,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-6,8-15,18-25H,7,16-17,26-29H2,1-2H3,(H,42,44)(H,43,45)
InChIKeyHPFBDVAQAOZSMZ-UHFFFAOYSA-N
MW626.80 g/mol
LogP7.67
Rot. Bonds12

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

5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11599827) has the molecular formula C41H42N2O4 and a molecular weight of 626.80 g/mol. Its IUPAC name is 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11599827
Molecular FormulaC41H42N2O4
Molecular Weight626.80 g/mol
Exact Mass626.31
IUPAC Name5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C41H42N2O4/c1-30-36(28-40(46-30,32-18-8-3-9-19-32)33-20-10-4-11-21-33)38(44)42-26-16-7-17-27-43-39(45)37-29-41(47-31(37)2,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-6,8-15,18-25H,7,16-17,26-29H2,1-2H3,(H,42,44)(H,43,45)
InChIKeyHPFBDVAQAOZSMZ-UHFFFAOYSA-N
XLogP7.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 57.67
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 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-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11599827) is 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is HPFBDVAQAOZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2O4/c1-30-36(28-40(46-30,32-18-8-3-9-19-32)33-20-10-4-11-21-33)38(44)42-26-16-7-17-27-43-39(45)37-29-41(47-31(37)2,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-6,8-15,18-25H,7,16-17,26-29H2,1-2H3,(H,42,44)(H,43,45).
What are the key properties of 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 626.80 g/mol, XLogP of 7.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11599827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).