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

C23H27N3O3 — CID 42663465

IUPACN-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCCOCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-2-29-15-5-14-26-21(19-6-3-4-7-20(19)23(26)28)24-17-10-8-16(9-11-17)22(27)25-18-12-13-18/h3-4,6-11,18,21,24H,2,5,12-15H2,1H3,(H,25,27)
InChIKeyROKCCRQUYRJVDI-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.57
Rot. Bonds9

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

N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (PubChem CID 42663465) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
PubChem CID42663465
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
SMILESCCOCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-2-29-15-5-14-26-21(19-6-3-4-7-20(19)23(26)28)24-17-10-8-16(9-11-17)22(27)25-18-12-13-18/h3-4,6-11,18,21,24H,2,5,12-15H2,1H3,(H,25,27)
InChIKeyROKCCRQUYRJVDI-UHFFFAOYSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide (CID 42663465) is N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is CCOCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
The InChIKey is ROKCCRQUYRJVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-29-15-5-14-26-21(19-6-3-4-7-20(19)23(26)28)24-17-10-8-16(9-11-17)22(27)25-18-12-13-18/h3-4,6-11,18,21,24H,2,5,12-15H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide?
N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide is sourced from PubChem (CID 42663465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).