butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium

C25H33N4O3+ — CID 3497730

IUPACbutyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium
SMILESCCCC[NH+](CC)CCNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C25H32N4O3/c1-4-7-17-28(5-2)18-16-26-24(30)23-21-10-8-9-11-22(21)25(31)29(27-23)19-12-14-20(15-13-19)32-6-3/h8-15H,4-7,16-18H2,1-3H3,(H,26,30)/p+1
InChIKeyYBNFBTPHSQIMMA-UHFFFAOYSA-O
MW437.56 g/mol
LogP2.22
Rot. Bonds11

About butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium

butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium (PubChem CID 3497730) has the molecular formula C25H33N4O3+ and a molecular weight of 437.56 g/mol. Its IUPAC name is butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium.

Molecular Properties

Compound Namebutyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium
PubChem CID3497730
Molecular FormulaC25H33N4O3+
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Namebutyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium
SMILESCCCC[NH+](CC)CCNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C25H32N4O3/c1-4-7-17-28(5-2)18-16-26-24(30)23-21-10-8-9-11-22(21)25(31)29(27-23)19-12-14-20(15-13-19)32-6-3/h8-15H,4-7,16-18H2,1-3H3,(H,26,30)/p+1
InChIKeyYBNFBTPHSQIMMA-UHFFFAOYSA-O
XLogP2.22
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
2-{[3-(2,4-Dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(furan-2-YL)methyl]acetamide
CID 9551210
N-(4-ethoxyphenyl)-N-[3-(methylamino)-1,4-dioxonaphthalen-2-yl]acetamide
CID 155564777
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616
N-(2-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 758934
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57399487
3-methyl-4-oxo-N-(2-phenoxyethyl)-3,4-dihydrophthalazine-1-carboxamide
CID 4822256
4-{[4-(trifluoromethoxy)anilino]methyl}-1(2H)-phthalazinone
CID 1485947
2-[4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenoxy]-N-phenylacetamide
CID 1979163

Frequently Asked Questions

What is the IUPAC name of butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium?
The IUPAC name of butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium (CID 3497730) is butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium.
What is the SMILES notation for butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium?
The canonical SMILES for butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium is CCCC[NH+](CC)CCNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12.
What is the InChIKey of butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium?
The InChIKey is YBNFBTPHSQIMMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N4O3/c1-4-7-17-28(5-2)18-16-26-24(30)23-21-10-8-9-11-22(21)25(31)29(27-23)19-12-14-20(15-13-19)32-6-3/h8-15H,4-7,16-18H2,1-3H3,(H,26,30)/p+1.
What are the key properties of butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium?
butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium has a molecular weight of 437.56 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium is sourced from PubChem (CID 3497730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).