methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate

C24H24N2O3 — CID 143228708

IUPACmethyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate
SMILESC=Cc1c(NC)ccc2cc(CCC(=O)Nc3ccccc3C(=O)OC)ccc12
InChIInChI=1S/C24H24N2O3/c1-4-18-19-12-9-16(15-17(19)11-13-21(18)25-2)10-14-23(27)26-22-8-6-5-7-20(22)24(28)29-3/h4-9,11-13,15,25H,1,10,14H2,2-3H3,(H,26,27)
InChIKeyPRNSDBAKUJLCCL-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.88
Rot. Bonds7

About methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate

methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate (PubChem CID 143228708) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate
PubChem CID143228708
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namemethyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate
SMILESC=Cc1c(NC)ccc2cc(CCC(=O)Nc3ccccc3C(=O)OC)ccc12
InChIInChI=1S/C24H24N2O3/c1-4-18-19-12-9-16(15-17(19)11-13-21(18)25-2)10-14-23(27)26-22-8-6-5-7-20(22)24(28)29-3/h4-9,11-13,15,25H,1,10,14H2,2-3H3,(H,26,27)
InChIKeyPRNSDBAKUJLCCL-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2957805

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate (CID 143228708) is methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate is C=Cc1c(NC)ccc2cc(CCC(=O)Nc3ccccc3C(=O)OC)ccc12.
What is the InChIKey of methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate?
The InChIKey is PRNSDBAKUJLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-18-19-12-9-16(15-17(19)11-13-21(18)25-2)10-14-23(27)26-22-8-6-5-7-20(22)24(28)29-3/h4-9,11-13,15,25H,1,10,14H2,2-3H3,(H,26,27).
What are the key properties of methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate?
methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate has a molecular weight of 388.47 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[5-ethenyl-6-(methylamino)naphthalen-2-yl]propanoylamino]benzoate is sourced from PubChem (CID 143228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).