methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate

C25H23N3O4 — CID 86945925

IUPACmethyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CNC(=O)Cn1ncc2ccccc2c1=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O4/c1-32-25(31)21(13-17-10-11-18-6-2-3-7-19(18)12-17)14-26-23(29)16-28-24(30)22-9-5-4-8-20(22)15-27-28/h2-12,15,21H,13-14,16H2,1H3,(H,26,29)
InChIKeyGJPSJOHRQNGGMN-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.70
Rot. Bonds7

About methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate

methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate (PubChem CID 86945925) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate
PubChem CID86945925
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namemethyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CNC(=O)Cn1ncc2ccccc2c1=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O4/c1-32-25(31)21(13-17-10-11-18-6-2-3-7-19(18)12-17)14-26-23(29)16-28-24(30)22-9-5-4-8-20(22)15-27-28/h2-12,15,21H,13-14,16H2,1H3,(H,26,29)
InChIKeyGJPSJOHRQNGGMN-UHFFFAOYSA-N
XLogP2.70
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 134048724
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate (CID 86945925) is methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate is COC(=O)C(CNC(=O)Cn1ncc2ccccc2c1=O)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The InChIKey is GJPSJOHRQNGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-25(31)21(13-17-10-11-18-6-2-3-7-19(18)12-17)14-26-23(29)16-28-24(30)22-9-5-4-8-20(22)15-27-28/h2-12,15,21H,13-14,16H2,1H3,(H,26,29).
What are the key properties of methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate?
methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate has a molecular weight of 429.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 86945925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).