2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide

C22H23N3O4 — CID 29057337

IUPAC2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-4-18(25-21(28)14-9-5-6-10-15(14)22(25)29)20(27)24-17-12-8-7-11-16(17)19(26)23-13(2)3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyDDYNJFBOZOLEPT-SFHVURJKSA-N
MW393.44 g/mol
LogP2.84
Rot. Bonds6

About 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 29057337) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID29057337
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-4-18(25-21(28)14-9-5-6-10-15(14)22(25)29)20(27)24-17-12-8-7-11-16(17)19(26)23-13(2)3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyDDYNJFBOZOLEPT-SFHVURJKSA-N
XLogP2.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
methyl 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 1112294
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
ethyl 2-[[3-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]benzoate
CID 23990746
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767
ethyl (E)-4-oxo-4-[2-(propan-2-ylcarbamoyl)anilino]but-2-enoate
CID 6234974
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide (CID 29057337) is 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide is CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is DDYNJFBOZOLEPT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-18(25-21(28)14-9-5-6-10-15(14)22(25)29)20(27)24-17-12-8-7-11-16(17)19(26)23-13(2)3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 393.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 29057337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).