4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide

C21H25N3O2 — CID 42765807

IUPAC4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
SMILESCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-13-24-19(17-7-5-6-8-18(17)21(24)26)23-16-11-9-15(10-12-16)20(25)22-14(2)3/h5-12,14,19,23H,4,13H2,1-3H3,(H,22,25)
InChIKeyDQOWRUPHJSXPPR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.80
Rot. Bonds6

About 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide

4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide (PubChem CID 42765807) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
PubChem CID42765807
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
SMILESCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-13-24-19(17-7-5-6-8-18(17)21(24)26)23-16-11-9-15(10-12-16)20(25)22-14(2)3/h5-12,14,19,23H,4,13H2,1-3H3,(H,22,25)
InChIKeyDQOWRUPHJSXPPR-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 1196195
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547
4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663508
N-ethoxy-4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42765872
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propan-2-ylbenzamide
CID 4260324
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663448
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
(3S)-2-(2-methoxyethyl)-3-[4-(pyrrolidine-1-carbonyl)anilino]-3H-isoindol-1-one
CID 7307023
N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663465
3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one
CID 42663413

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide (CID 42765807) is 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide is CCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide?
The InChIKey is DQOWRUPHJSXPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-13-24-19(17-7-5-6-8-18(17)21(24)26)23-16-11-9-15(10-12-16)20(25)22-14(2)3/h5-12,14,19,23H,4,13H2,1-3H3,(H,22,25).
What are the key properties of 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide?
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42765807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).