N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide

C22H24N2O2 — CID 57096406

IUPACN-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide
SMILESCCC(C)NC(=O)C(C)(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-4-15(2)23-21(25)22(3,26)18-14-20(16-10-6-5-7-11-16)24-19-13-9-8-12-17(18)19/h5-15,26H,4H2,1-3H3,(H,23,25)
InChIKeyUTYIGOLXPDCWKH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.02
Rot. Bonds5

About N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide

N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide (PubChem CID 57096406) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide
PubChem CID57096406
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide
SMILESCCC(C)NC(=O)C(C)(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-4-15(2)23-21(25)22(3,26)18-14-20(16-10-6-5-7-11-16)24-19-13-9-8-12-17(18)19/h5-15,26H,4H2,1-3H3,(H,23,25)
InChIKeyUTYIGOLXPDCWKH-UHFFFAOYSA-N
XLogP4.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide (CID 57096406) is N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide is CCC(C)NC(=O)C(C)(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide?
The InChIKey is UTYIGOLXPDCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-15(2)23-21(25)22(3,26)18-14-20(16-10-6-5-7-11-16)24-19-13-9-8-12-17(18)19/h5-15,26H,4H2,1-3H3,(H,23,25).
What are the key properties of N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide?
N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydroxy-2-(2-phenylquinolin-4-yl)propanamide is sourced from PubChem (CID 57096406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).