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

C23H29N3O2 — CID 1196195

IUPACN-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2CC(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-5-16(4)24-22(27)17-10-12-18(13-11-17)25-21-19-8-6-7-9-20(19)23(28)26(21)14-15(2)3/h6-13,15-16,21,25H,5,14H2,1-4H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyVVJHSLMXYNLFKH-IIBYNOLFSA-N
MW379.50 g/mol
LogP4.44
Rot. Bonds7

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

N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (PubChem CID 1196195) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
PubChem CID1196195
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2CC(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-5-16(4)24-22(27)17-10-12-18(13-11-17)25-21-19-8-6-7-9-20(19)23(28)26(21)14-15(2)3/h6-13,15-16,21,25H,5,14H2,1-4H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyVVJHSLMXYNLFKH-IIBYNOLFSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
N-(3,4-dimethylphenyl)-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 93102014
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 3996410
4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 1196254
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547
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-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663508

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (CID 1196195) is N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2CC(C)C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The InChIKey is VVJHSLMXYNLFKH-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-16(4)24-22(27)17-10-12-18(13-11-17)25-21-19-8-6-7-9-20(19)23(28)26(21)14-15(2)3/h6-13,15-16,21,25H,5,14H2,1-4H3,(H,24,27)/t16-,21-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is sourced from PubChem (CID 1196195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).