N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide

C22H25N3O2 — CID 119526495

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-9-17(10-8-16)19(23)13-24-22(27)14-25-12-11-21(26)18-5-3-4-6-20(18)25/h3-12,15,19H,13-14,23H2,1-2H3,(H,24,27)
InChIKeyOIZCUAQIWGDLGR-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.94
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 119526495) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID119526495
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-9-17(10-8-16)19(23)13-24-22(27)14-25-12-11-21(26)18-5-3-4-6-20(18)25/h3-12,15,19H,13-14,23H2,1-2H3,(H,24,27)
InChIKeyOIZCUAQIWGDLGR-UHFFFAOYSA-N
XLogP2.94
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 119527137
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 111566129
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119527141

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 119526495) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide is CC(C)c1ccc(C(N)CNC(=O)Cn2ccc(=O)c3ccccc32)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is OIZCUAQIWGDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)16-7-9-17(10-8-16)19(23)13-24-22(27)14-25-12-11-21(26)18-5-3-4-6-20(18)25/h3-12,15,19H,13-14,23H2,1-2H3,(H,24,27).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 119526495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).