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

C27H29N3O2 — CID 4991609

IUPAC4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O2/c1-18(2)17-30-25(23-11-7-8-12-24(23)27(30)32)29-22-15-13-21(14-16-22)26(31)28-19(3)20-9-5-4-6-10-20/h4-16,18-19,25,29H,17H2,1-3H3,(H,28,31)
InChIKeyLITFLTZIHSHHCQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.40
Rot. Bonds7

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

4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 4991609) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
PubChem CID4991609
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O2/c1-18(2)17-30-25(23-11-7-8-12-24(23)27(30)32)29-22-15-13-21(14-16-22)26(31)28-19(3)20-9-5-4-6-10-20/h4-16,18-19,25,29H,17H2,1-3H3,(H,28,31)
InChIKeyLITFLTZIHSHHCQ-UHFFFAOYSA-N
XLogP5.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)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
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
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-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
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
3-[[(1S)-2-(4-ethoxyphenyl)-3-oxo-1H-isoindol-1-yl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93102193
3-[4-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one
CID 4645496
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide (CID 4991609) is 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide is CC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LITFLTZIHSHHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-18(2)17-30-25(23-11-7-8-12-24(23)27(30)32)29-22-15-13-21(14-16-22)26(31)28-19(3)20-9-5-4-6-10-20/h4-16,18-19,25,29H,17H2,1-3H3,(H,28,31).
What are the key properties of 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4991609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).