N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide

C19H24N2O3 — CID 2327414

IUPACN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
SMILESCN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-20(14-8-3-2-4-9-14)17(22)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3
InChIKeySSFHYXXEBWRJGX-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.85
Rot. Bonds5

About N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide

N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide (PubChem CID 2327414) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
PubChem CID2327414
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
SMILESCN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-20(14-8-3-2-4-9-14)17(22)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3
InChIKeySSFHYXXEBWRJGX-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide (CID 2327414) is N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide is CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide?
The InChIKey is SSFHYXXEBWRJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20(14-8-3-2-4-9-14)17(22)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3.
What are the key properties of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide?
N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide has a molecular weight of 328.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide is sourced from PubChem (CID 2327414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).