(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide

C21H16N2O3 — CID 738623

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H16N2O3/c1-13(23-20(25)16-10-4-5-11-17(16)21(23)26)19(24)22-18-12-6-8-14-7-2-3-9-15(14)18/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyDQGSOUFAMDKMRS-ZDUSSCGKSA-N
MW344.37 g/mol
LogP3.46
Rot. Bonds3

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide (PubChem CID 738623) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
PubChem CID738623
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H16N2O3/c1-13(23-20(25)16-10-4-5-11-17(16)21(23)26)19(24)22-18-12-6-8-14-7-2-3-9-15(14)18/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyDQGSOUFAMDKMRS-ZDUSSCGKSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-yl-3-phenylpropanamide
CID 1342808
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
CID 51975698
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide (CID 738623) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide is C[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide?
The InChIKey is DQGSOUFAMDKMRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13(23-20(25)16-10-4-5-11-17(16)21(23)26)19(24)22-18-12-6-8-14-7-2-3-9-15(14)18/h2-13H,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide has a molecular weight of 344.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 738623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).