ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate

C23H19NO4 — CID 101149454

IUPACethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19NO4/c1-2-28-23(27)20(14-15-11-12-16-7-3-4-8-17(16)13-15)24-21(25)18-9-5-6-10-19(18)22(24)26/h3-13,20H,2,14H2,1H3
InChIKeyVTLLALPRNUPWMT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.61
Rot. Bonds5

About ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate

ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate (PubChem CID 101149454) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
PubChem CID101149454
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Nameethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19NO4/c1-2-28-23(27)20(14-15-11-12-16-7-3-4-8-17(16)13-15)24-21(25)18-9-5-6-10-19(18)22(24)26/h3-13,20H,2,14H2,1H3
InChIKeyVTLLALPRNUPWMT-UHFFFAOYSA-N
XLogP3.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-isocyanatophenyl)propanoate
CID 169354571
ethyl 3-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 169368158
(4-methoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 8926973
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
ethyl (2S)-3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1100533
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 118343325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate (CID 101149454) is ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate is CCOC(=O)C(Cc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate?
The InChIKey is VTLLALPRNUPWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-2-28-23(27)20(14-15-11-12-16-7-3-4-8-17(16)13-15)24-21(25)18-9-5-6-10-19(18)22(24)26/h3-13,20H,2,14H2,1H3.
What are the key properties of ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate?
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate has a molecular weight of 373.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 101149454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).