N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide

C18H23N3O3 — CID 51096627

IUPACN-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-4-12(2)19-18(24)13(3)20-17(23)11-21-10-9-16(22)14-7-5-6-8-15(14)21/h5-10,12-13H,4,11H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyALGQSGXIHOZWQN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.42
Rot. Bonds6

About N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide

N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide (PubChem CID 51096627) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
PubChem CID51096627
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-4-12(2)19-18(24)13(3)20-17(23)11-21-10-9-16(22)14-7-5-6-8-15(14)21/h5-10,12-13H,4,11H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyALGQSGXIHOZWQN-UHFFFAOYSA-N
XLogP1.42
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
N-butan-2-yl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanamide
CID 71936370
N-[cyclobutyl(phenyl)methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 71933283
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 94815036

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide (CID 51096627) is N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide is CCC(C)NC(=O)C(C)NC(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The InChIKey is ALGQSGXIHOZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-12(2)19-18(24)13(3)20-17(23)11-21-10-9-16(22)14-7-5-6-8-15(14)21/h5-10,12-13H,4,11H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide?
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 51096627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).