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

C42H44N2O4 — CID 11592650

IUPAC5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(C)cc3)(c3ccc(C)cc3)C2)CC(c2ccc(C)cc2)(c2ccc(C)cc2)O1
InChIInChI=1S/C42H44N2O4/c1-27-7-15-33(16-8-27)41(34-17-9-28(2)10-18-34)25-37(31(5)47-41)39(45)43-23-24-44-40(46)38-26-42(48-32(38)6,35-19-11-29(3)12-20-35)36-21-13-30(4)14-22-36/h7-22H,23-26H2,1-6H3,(H,43,45)(H,44,46)
InChIKeyWNIHEHNEJLDDTM-UHFFFAOYSA-N
MW640.82 g/mol
LogP7.73
Rot. Bonds9

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

5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide (PubChem CID 11592650) has the molecular formula C42H44N2O4 and a molecular weight of 640.82 g/mol. Its IUPAC name is 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
PubChem CID11592650
Molecular FormulaC42H44N2O4
Molecular Weight640.82 g/mol
Exact Mass640.33
IUPAC Name5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(C)cc3)(c3ccc(C)cc3)C2)CC(c2ccc(C)cc2)(c2ccc(C)cc2)O1
InChIInChI=1S/C42H44N2O4/c1-27-7-15-33(16-8-27)41(34-17-9-28(2)10-18-34)25-37(31(5)47-41)39(45)43-23-24-44-40(46)38-26-42(48-32(38)6,35-19-11-29(3)12-20-35)36-21-13-30(4)14-22-36/h7-22H,23-26H2,1-6H3,(H,43,45)(H,44,46)
InChIKeyWNIHEHNEJLDDTM-UHFFFAOYSA-N
XLogP7.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.82
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide with MolForge

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Related Compounds

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
benzyl N-[4-[4-[4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]phenyl]phenyl]butyl]carbamate
CID 169109977
benzyl N-[4-[4-[4-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-3-oxopropyl]phenyl]phenyl]butyl]carbamate
CID 177101948
N-benzyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10642847
N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10688221
N-tert-butyl-5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 10713768
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 10740812
5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11513093
5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11541572
5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11549258
5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11563467
N-[2-[[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 11571255

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide (CID 11592650) is 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide is CC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(C)cc3)(c3ccc(C)cc3)C2)CC(c2ccc(C)cc2)(c2ccc(C)cc2)O1.
What is the InChIKey of 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide?
The InChIKey is WNIHEHNEJLDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2O4/c1-27-7-15-33(16-8-27)41(34-17-9-28(2)10-18-34)25-37(31(5)47-41)39(45)43-23-24-44-40(46)38-26-42(48-32(38)6,35-19-11-29(3)12-20-35)36-21-13-30(4)14-22-36/h7-22H,23-26H2,1-6H3,(H,43,45)(H,44,46).
What are the key properties of 5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide?
5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide has a molecular weight of 640.82 g/mol, XLogP of 7.73, 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-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide is sourced from PubChem (CID 11592650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).