N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide

C26H28N4O3 — CID 3204784

IUPACN'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
InChIInChI=1S/C26H28N4O3/c31-24(29-23-13-7-8-17-27-23)14-15-26(33)30(19-22-11-5-2-6-12-22)20-25(32)28-18-16-21-9-3-1-4-10-21/h1-13,17H,14-16,18-20H2,(H,28,32)(H,27,29,31)
InChIKeyWFPVPDXRCZGGCM-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.19
Rot. Bonds11

About N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide

N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204784) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204784
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
InChIInChI=1S/C26H28N4O3/c31-24(29-23-13-7-8-17-27-23)14-15-26(33)30(19-22-11-5-2-6-12-22)20-25(32)28-18-16-21-9-3-1-4-10-21/h1-13,17H,14-16,18-20H2,(H,28,32)(H,27,29,31)
InChIKeyWFPVPDXRCZGGCM-UHFFFAOYSA-N
XLogP3.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide (CID 3204784) is N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is WFPVPDXRCZGGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-24(29-23-13-7-8-17-27-23)14-15-26(33)30(19-22-11-5-2-6-12-22)20-25(32)28-18-16-21-9-3-1-4-10-21/h1-13,17H,14-16,18-20H2,(H,28,32)(H,27,29,31).
What are the key properties of N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 444.54 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).