2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide

C38H44N2O2 — CID 54781151

IUPAC2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)c4ccc(CC(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H44N2O2/c1-25(2)23-29-7-11-31(12-8-29)27(5)37(41)39-35-19-15-33(16-20-35)34-17-21-36(22-18-34)40-38(42)28(6)32-13-9-30(10-14-32)24-26(3)4/h7-22,25-28H,23-24H2,1-6H3,(H,39,41)(H,40,42)
InChIKeyUOJGRYBNXDNEOX-UHFFFAOYSA-N
MW560.78 g/mol
LogP9.23
Rot. Bonds11

About 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide

2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide (PubChem CID 54781151) has the molecular formula C38H44N2O2 and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
PubChem CID54781151
Molecular FormulaC38H44N2O2
Molecular Weight560.78 g/mol
Exact Mass560.34
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)c4ccc(CC(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H44N2O2/c1-25(2)23-29-7-11-31(12-8-29)27(5)37(41)39-35-19-15-33(16-20-35)34-17-21-36(22-18-34)40-38(42)28(6)32-13-9-30(10-14-32)24-26(3)4/h7-22,25-28H,23-24H2,1-6H3,(H,39,41)(H,40,42)
InChIKeyUOJGRYBNXDNEOX-UHFFFAOYSA-N
XLogP9.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.78
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide with MolForge

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782075
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide (CID 54781151) is 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)c4ccc(CC(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide?
The InChIKey is UOJGRYBNXDNEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O2/c1-25(2)23-29-7-11-31(12-8-29)27(5)37(41)39-35-19-15-33(16-20-35)34-17-21-36(22-18-34)40-38(42)28(6)32-13-9-30(10-14-32)24-26(3)4/h7-22,25-28H,23-24H2,1-6H3,(H,39,41)(H,40,42).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide?
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide has a molecular weight of 560.78 g/mol, XLogP of 9.23, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide is sourced from PubChem (CID 54781151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).