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

C24H29N3O2 — CID 3990876

IUPACN-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-16(2)27-22(20-10-6-7-11-21(20)24(27)29)25-19-14-12-17(13-15-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-16,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28)
InChIKeyYYYAKPHTIHLLIF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.72
Rot. Bonds5

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

N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (PubChem CID 3990876) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
PubChem CID3990876
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
SMILESCC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-16(2)27-22(20-10-6-7-11-21(20)24(27)29)25-19-14-12-17(13-15-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-16,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28)
InChIKeyYYYAKPHTIHLLIF-UHFFFAOYSA-N
XLogP4.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide (CID 3990876) is N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is CC(C)N1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
The InChIKey is YYYAKPHTIHLLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)27-22(20-10-6-7-11-21(20)24(27)29)25-19-14-12-17(13-15-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-16,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide?
N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide has a molecular weight of 391.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide is sourced from PubChem (CID 3990876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).