4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide

C20H19N3O4 — CID 978515

IUPAC4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19N3O4/c1-11(2)16(18(25)22-13-9-7-12(8-10-13)17(21)24)23-19(26)14-5-3-4-6-15(14)20(23)27/h3-11,16H,1-2H3,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyHAGCPXLVUZZBSM-INIZCTEOSA-N
MW365.39 g/mol
LogP2.04
Rot. Bonds5

About 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide

4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide (PubChem CID 978515) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
PubChem CID978515
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19N3O4/c1-11(2)16(18(25)22-13-9-7-12(8-10-13)17(21)24)23-19(26)14-5-3-4-6-15(14)20(23)27/h3-11,16H,1-2H3,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyHAGCPXLVUZZBSM-INIZCTEOSA-N
XLogP2.04
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.04
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

4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
propan-2-yl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzoate
CID 2789060
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-sulfamoylphenyl)butanamide
CID 1306467
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-methylsulfanylphenyl)butanamide
CID 134124262
4-[[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]methyl]benzamide
CID 108766226
N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 2787122
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 9138146
3-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]propanoic acid
CID 119252450
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzamide
CID 7926430
N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610648

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide (CID 978515) is 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide is CC(C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide?
The InChIKey is HAGCPXLVUZZBSM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11(2)16(18(25)22-13-9-7-12(8-10-13)17(21)24)23-19(26)14-5-3-4-6-15(14)20(23)27/h3-11,16H,1-2H3,(H2,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide?
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 978515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).