2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide

C28H34N4O3 — CID 23529241

IUPAC2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide
SMILESCC(=O)C(C)(c1ccccc1)n1cnc(NC(=O)C(CCCc2ccccc2)NC(=O)C(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-20(2)26(34)30-24(17-11-14-22-12-7-5-8-13-22)27(35)31-25-18-32(19-29-25)28(4,21(3)33)23-15-9-6-10-16-23/h5-10,12-13,15-16,18-20,24H,11,14,17H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyDGYSDXMHOINFPH-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.34
Rot. Bonds11

About 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide

2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide (PubChem CID 23529241) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide
PubChem CID23529241
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide
SMILESCC(=O)C(C)(c1ccccc1)n1cnc(NC(=O)C(CCCc2ccccc2)NC(=O)C(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-20(2)26(34)30-24(17-11-14-22-12-7-5-8-13-22)27(35)31-25-18-32(19-29-25)28(4,21(3)33)23-15-9-6-10-16-23/h5-10,12-13,15-16,18-20,24H,11,14,17H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyDGYSDXMHOINFPH-UHFFFAOYSA-N
XLogP4.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide (CID 23529241) is 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide is CC(=O)C(C)(c1ccccc1)n1cnc(NC(=O)C(CCCc2ccccc2)NC(=O)C(C)C)c1.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide?
The InChIKey is DGYSDXMHOINFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-20(2)26(34)30-24(17-11-14-22-12-7-5-8-13-22)27(35)31-25-18-32(19-29-25)28(4,21(3)33)23-15-9-6-10-16-23/h5-10,12-13,15-16,18-20,24H,11,14,17H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide?
2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide has a molecular weight of 474.61 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-N-[1-(3-oxo-2-phenylbutan-2-yl)imidazol-4-yl]-5-phenylpentanamide is sourced from PubChem (CID 23529241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).