N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide

C23H33F3N4O3 — CID 162363918

IUPACN-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCCN(CCC(C)NC(=O)Cn1nc(C(C)C)c2cc(C(F)(F)F)ccc2c1=O)CC(C)O
InChIInChI=1S/C23H33F3N4O3/c1-6-29(12-16(5)31)10-9-15(4)27-20(32)13-30-22(33)18-8-7-17(23(24,25)26)11-19(18)21(28-30)14(2)3/h7-8,11,14-16,31H,6,9-10,12-13H2,1-5H3,(H,27,32)
InChIKeyMOAAPXDWRBLVTE-UHFFFAOYSA-N
MW470.54 g/mol
LogP3.14
Rot. Bonds10

About N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide

N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide (PubChem CID 162363918) has the molecular formula C23H33F3N4O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
PubChem CID162363918
Molecular FormulaC23H33F3N4O3
Molecular Weight470.54 g/mol
Exact Mass470.25
IUPAC NameN-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCCN(CCC(C)NC(=O)Cn1nc(C(C)C)c2cc(C(F)(F)F)ccc2c1=O)CC(C)O
InChIInChI=1S/C23H33F3N4O3/c1-6-29(12-16(5)31)10-9-15(4)27-20(32)13-30-22(33)18-8-7-17(23(24,25)26)11-19(18)21(28-30)14(2)3/h7-8,11,14-16,31H,6,9-10,12-13H2,1-5H3,(H,27,32)
InChIKeyMOAAPXDWRBLVTE-UHFFFAOYSA-N
XLogP3.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067
N-[5-chloro-1-(difluoromethyl)-6-oxo-3-pyridinyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364314
N-[(3S)-1-ethyl-2-oxopiperidin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 166874718
N-[(3S,5R)-1-acetyl-5-hydroxypiperidin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364146
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide (CID 162363918) is N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide is CCN(CCC(C)NC(=O)Cn1nc(C(C)C)c2cc(C(F)(F)F)ccc2c1=O)CC(C)O.
What is the InChIKey of N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The InChIKey is MOAAPXDWRBLVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N4O3/c1-6-29(12-16(5)31)10-9-15(4)27-20(32)13-30-22(33)18-8-7-17(23(24,25)26)11-19(18)21(28-30)14(2)3/h7-8,11,14-16,31H,6,9-10,12-13H2,1-5H3,(H,27,32).
What are the key properties of N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide has a molecular weight of 470.54 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 162363918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).