dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate

C32H23NO4 — CID 118288370

IUPACdinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate
SMILESC[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C32H23NO4/c1-20(33-28-19-7-6-16-27(28)29(34)31(33)35)32(36)37-30(25-17-8-12-21-10-2-4-14-23(21)25)26-18-9-13-22-11-3-5-15-24(22)26/h2-20,30H,1H3/t20-/m0/s1
InChIKeyLMDUVQCAXQHUII-FQEVSTJZSA-N
MW485.54 g/mol
LogP6.24
Rot. Bonds5

About dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate

dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate (PubChem CID 118288370) has the molecular formula C32H23NO4 and a molecular weight of 485.54 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate
PubChem CID118288370
Molecular FormulaC32H23NO4
Molecular Weight485.54 g/mol
Exact Mass485.16
IUPAC Namedinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate
SMILESC[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C32H23NO4/c1-20(33-28-19-7-6-16-27(28)29(34)31(33)35)32(36)37-30(25-17-8-12-21-10-2-4-14-23(21)25)26-18-9-13-22-11-3-5-15-24(22)26/h2-20,30H,1H3/t20-/m0/s1
InChIKeyLMDUVQCAXQHUII-FQEVSTJZSA-N
XLogP6.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 102414342
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CID 166440080
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CID 132510045
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
CID 7027425
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597031
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084
1-naphthalen-1-ylethyl carbamate
CID 14959373
naphthalen-1-yl (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 139984634

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate (CID 118288370) is dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate is C[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)N1C(=O)C(=O)c2ccccc21.
What is the InChIKey of dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The InChIKey is LMDUVQCAXQHUII-FQEVSTJZSA-N. The full InChI is InChI=1S/C32H23NO4/c1-20(33-28-19-7-6-16-27(28)29(34)31(33)35)32(36)37-30(25-17-8-12-21-10-2-4-14-23(21)25)26-18-9-13-22-11-3-5-15-24(22)26/h2-20,30H,1H3/t20-/m0/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate has a molecular weight of 485.54 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate is sourced from PubChem (CID 118288370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).