N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide

C27H29N3O2 — CID 93102014

IUPACN-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3CC(C)C)cc2)cc1C
InChIInChI=1S/C27H29N3O2/c1-17(2)16-30-25(23-7-5-6-8-24(23)27(30)32)28-21-13-10-20(11-14-21)26(31)29-22-12-9-18(3)19(4)15-22/h5-15,17,25,28H,16H2,1-4H3,(H,29,31)/t25-/m1/s1
InChIKeyVABKXOQVLMWNNX-RUZDIDTESA-N
MW427.55 g/mol
LogP5.78
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide

N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (PubChem CID 93102014) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
PubChem CID93102014
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3CC(C)C)cc2)cc1C
InChIInChI=1S/C27H29N3O2/c1-17(2)16-30-25(23-7-5-6-8-24(23)27(30)32)28-21-13-10-20(11-14-21)26(31)29-22-12-9-18(3)19(4)15-22/h5-15,17,25,28H,16H2,1-4H3,(H,29,31)/t25-/m1/s1
InChIKeyVABKXOQVLMWNNX-RUZDIDTESA-N
XLogP5.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 1196195
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 3996410
N-(3,4-dimethylphenyl)-3-[[2-(3-methoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42766329
4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 1196254
N-(3,4-dimethylphenyl)-3-[[3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]benzamide
CID 4240466
3-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 3979089
(3S)-3-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 1196230
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (CID 93102014) is N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is Cc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3CC(C)C)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The InChIKey is VABKXOQVLMWNNX-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29N3O2/c1-17(2)16-30-25(23-7-5-6-8-24(23)27(30)32)28-21-13-10-20(11-14-21)26(31)29-22-12-9-18(3)19(4)15-22/h5-15,17,25,28H,16H2,1-4H3,(H,29,31)/t25-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is sourced from PubChem (CID 93102014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).