2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide

C24H28N4O3 — CID 87085101

IUPAC2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
SMILESCOOCc1ccc(C(NCCc2cccnc2)C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-31-18-21-4-6-22(7-5-21)23(27-15-11-20-3-2-12-26-17-20)24(29)28-16-10-19-8-13-25-14-9-19/h2-9,12-14,17,23,27H,10-11,15-16,18H2,1H3,(H,28,29)
InChIKeyVCLHNBWDHJUWRC-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.79
Rot. Bonds12

About 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide

2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide (PubChem CID 87085101) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide.

Molecular Properties

Compound Name2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
PubChem CID87085101
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide
SMILESCOOCc1ccc(C(NCCc2cccnc2)C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-31-18-21-4-6-22(7-5-21)23(27-15-11-20-3-2-12-26-17-20)24(29)28-16-10-19-8-13-25-14-9-19/h2-9,12-14,17,23,27H,10-11,15-16,18H2,1H3,(H,28,29)
InChIKeyVCLHNBWDHJUWRC-UHFFFAOYSA-N
XLogP2.79
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932484
2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932437
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 56932438
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56933401
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60914787
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide?
The IUPAC name of 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide (CID 87085101) is 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide.
What is the SMILES notation for 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide?
The canonical SMILES for 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide is COOCc1ccc(C(NCCc2cccnc2)C(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide?
The InChIKey is VCLHNBWDHJUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-31-18-21-4-6-22(7-5-21)23(27-15-11-20-3-2-12-26-17-20)24(29)28-16-10-19-8-13-25-14-9-19/h2-9,12-14,17,23,27H,10-11,15-16,18H2,1H3,(H,28,29).
What are the key properties of 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide?
2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylperoxymethyl)phenyl]-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-3-ylethylamino)acetamide is sourced from PubChem (CID 87085101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).