2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide

C26H19N3O5 — CID 14542722

IUPAC2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C26H19N3O5/c1-15(16-9-3-2-4-10-16)27-21(30)22(28-23(31)17-11-5-6-12-18(17)24(28)32)29-25(33)19-13-7-8-14-20(19)26(29)34/h2-15,22H,1H3,(H,27,30)/t15-/m0/s1
InChIKeyXXKSLXPQLIOPGE-HNNXBMFYSA-N
MW453.45 g/mol
LogP2.78
Rot. Bonds5

About 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide

2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 14542722) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID14542722
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C26H19N3O5/c1-15(16-9-3-2-4-10-16)27-21(30)22(28-23(31)17-11-5-6-12-18(17)24(28)32)29-25(33)19-13-7-8-14-20(19)26(29)34/h2-15,22H,1H3,(H,27,30)/t15-/m0/s1
InChIKeyXXKSLXPQLIOPGE-HNNXBMFYSA-N
XLogP2.78
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945542
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8751687
N-[1-(3-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55591432
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 8942428
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 14542722) is 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is XXKSLXPQLIOPGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H19N3O5/c1-15(16-9-3-2-4-10-16)27-21(30)22(28-23(31)17-11-5-6-12-18(17)24(28)32)29-25(33)19-13-7-8-14-20(19)26(29)34/h2-15,22H,1H3,(H,27,30)/t15-/m0/s1.
What are the key properties of 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide?
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 453.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 14542722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).