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

C26H27N3O2 — CID 3995947

IUPACN-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)17-29-24(22-10-6-7-11-23(22)26(29)31)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,24,28H,16-17H2,1-2H3,(H,27,30)
InChIKeyJTYSZWXUAHGXKF-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.84
Rot. Bonds7

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

N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (PubChem CID 3995947) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
PubChem CID3995947
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)17-29-24(22-10-6-7-11-23(22)26(29)31)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,24,28H,16-17H2,1-2H3,(H,27,30)
InChIKeyJTYSZWXUAHGXKF-UHFFFAOYSA-N
XLogP4.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 1196254
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 3996410
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 1196195
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-(4-acetylanilino)-2-benzyl-3H-isoindol-1-one
CID 20866635
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
N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
CID 46256528

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (CID 3995947) is N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is CC(C)CN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The InChIKey is JTYSZWXUAHGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)17-29-24(22-10-6-7-11-23(22)26(29)31)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,24,28H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is sourced from PubChem (CID 3995947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).