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

C38H36N2O4 — CID 11541572

IUPAC5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C38H36N2O4/c1-27-33(25-37(43-27,29-15-7-3-8-16-29)30-17-9-4-10-18-30)35(41)39-23-24-40-36(42)34-26-38(44-28(34)2,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22H,23-26H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyIFJCTSAPYOCYEF-UHFFFAOYSA-N
MW584.72 g/mol
LogP6.49
Rot. Bonds9

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

5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11541572) has the molecular formula C38H36N2O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID11541572
Molecular FormulaC38H36N2O4
Molecular Weight584.72 g/mol
Exact Mass584.27
IUPAC Name5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C38H36N2O4/c1-27-33(25-37(43-27,29-15-7-3-8-16-29)30-17-9-4-10-18-30)35(41)39-23-24-40-36(42)34-26-38(44-28(34)2,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22H,23-26H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyIFJCTSAPYOCYEF-UHFFFAOYSA-N
XLogP6.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 56.49
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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Launch Full Analysis

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
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CID 10642847
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CID 10688221
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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
CID 11513093
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5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11541572) is 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is IFJCTSAPYOCYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O4/c1-27-33(25-37(43-27,29-15-7-3-8-16-29)30-17-9-4-10-18-30)35(41)39-23-24-40-36(42)34-26-38(44-28(34)2,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22H,23-26H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?
5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 6.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11541572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).