N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide

C22H26N2O3 — CID 3240311

IUPACN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-23(16-9-3-2-4-10-16)20(25)15-8-7-11-17(14-15)24-21(26)18-12-5-6-13-19(18)22(24)27/h5-8,11,14,16,18-19H,2-4,9-10,12-13H2,1H3
InChIKeyBSDKDYMLACHGFE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.55
Rot. Bonds3

About N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide

N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide (PubChem CID 3240311) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide
PubChem CID3240311
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-23(16-9-3-2-4-10-16)20(25)15-8-7-11-17(14-15)24-21(26)18-12-5-6-13-19(18)22(24)27/h5-8,11,14,16,18-19H,2-4,9-10,12-13H2,1H3
InChIKeyBSDKDYMLACHGFE-UHFFFAOYSA-N
XLogP3.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide (CID 3240311) is N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide is CN(C(=O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide?
The InChIKey is BSDKDYMLACHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23(16-9-3-2-4-10-16)20(25)15-8-7-11-17(14-15)24-21(26)18-12-5-6-13-19(18)22(24)27/h5-8,11,14,16,18-19H,2-4,9-10,12-13H2,1H3.
What are the key properties of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide?
N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 3240311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).