N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide

C23H24N4O2 — CID 56762017

IUPACN-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CCn1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21
InChIInChI=1S/C23H24N4O2/c1-16(2)10-12-26-13-11-19-20(8-5-9-21(19)26)25-22(28)15-27-23(29)18-7-4-3-6-17(18)14-24-27/h3-9,11,13-14,16H,10,12,15H2,1-2H3,(H,25,28)
InChIKeyAPZCUZAXTUGNDZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 56762017) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID56762017
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CCn1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21
InChIInChI=1S/C23H24N4O2/c1-16(2)10-12-26-13-11-19-20(8-5-9-21(19)26)25-22(28)15-27-23(29)18-7-4-3-6-17(18)14-24-27/h3-9,11,13-14,16H,10,12,15H2,1-2H3,(H,25,28)
InChIKeyAPZCUZAXTUGNDZ-UHFFFAOYSA-N
XLogP4.04
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846937
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52899779
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-naphthalen-1-ylacetamide
CID 4519645
N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46568161
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 56762017) is N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide is CC(C)CCn1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21.
What is the InChIKey of N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is APZCUZAXTUGNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)10-12-26-13-11-19-20(8-5-9-21(19)26)25-22(28)15-27-23(29)18-7-4-3-6-17(18)14-24-27/h3-9,11,13-14,16H,10,12,15H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 56762017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).