5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide

C44H48N2O4 — CID 11513093

IUPAC5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C44H48N2O4/c1-33-39(31-43(49-33,35-21-11-7-12-22-35)36-23-13-8-14-24-36)41(47)45-29-19-5-3-4-6-20-30-46-42(48)40-32-44(50-34(40)2,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28H,3-6,19-20,29-32H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyUSCVAFZFLNDFSF-UHFFFAOYSA-N
MW668.88 g/mol
LogP8.84
Rot. Bonds15

About 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11513093) has the molecular formula C44H48N2O4 and a molecular weight of 668.88 g/mol. Its IUPAC name is 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11513093
Molecular FormulaC44H48N2O4
Molecular Weight668.88 g/mol
Exact Mass668.36
IUPAC Name5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C44H48N2O4/c1-33-39(31-43(49-33,35-21-11-7-12-22-35)36-23-13-8-14-24-36)41(47)45-29-19-5-3-4-6-20-30-46-42(48)40-32-44(50-34(40)2,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28H,3-6,19-20,29-32H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyUSCVAFZFLNDFSF-UHFFFAOYSA-N
XLogP8.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 58.84
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
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CID 10688221
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CID 10711051
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11513093) is 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCCCCCCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is USCVAFZFLNDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N2O4/c1-33-39(31-43(49-33,35-21-11-7-12-22-35)36-23-13-8-14-24-36)41(47)45-29-19-5-3-4-6-20-30-46-42(48)40-32-44(50-34(40)2,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28H,3-6,19-20,29-32H2,1-2H3,(H,45,47)(H,46,48).
What are the key properties of 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 668.88 g/mol, XLogP of 8.84, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11513093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).