3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

C23H32N2O2 — CID 19163802

IUPAC3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N(C3CCCCC3)C3CCCCC3)C2=O)c1
InChIInChI=1S/C23H32N2O2/c1-17-9-8-14-20(15-17)25-22(26)16-21(23(25)27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19,21H,2-7,10-13,16H2,1H3
InChIKeyGMNBDCXMRNPTIM-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.59
Rot. Bonds4

About 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 19163802) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID19163802
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N(C3CCCCC3)C3CCCCC3)C2=O)c1
InChIInChI=1S/C23H32N2O2/c1-17-9-8-14-20(15-17)25-22(26)16-21(23(25)27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19,21H,2-7,10-13,16H2,1H3
InChIKeyGMNBDCXMRNPTIM-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
tert-butyl-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7745942
ethyl 4-[3-[cycloheptyl-(3-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860843
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 1192472
6-methyl-3-(3-methylphenyl)-1,3-diazepane-2,4-dione
CID 81070323
1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 4068506
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 3514433

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 19163802) is 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N(C3CCCCC3)C3CCCCC3)C2=O)c1.
What is the InChIKey of 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GMNBDCXMRNPTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17-9-8-14-20(15-17)25-22(26)16-21(23(25)27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19,21H,2-7,10-13,16H2,1H3.
What are the key properties of 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 368.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19163802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).