3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C18H23N3O3 — CID 168559383

IUPAC3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2NC2CCCCC2)C(=O)N1CCO
InChIInChI=1S/C18H23N3O3/c22-11-10-21-17(23)12-16(18(21)24)20-15-9-5-4-8-14(15)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,19-20,22H,1-3,6-7,10-11H2
InChIKeyKGSYFXNNJQTBMW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.09
Rot. Bonds6

About 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168559383) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168559383
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2NC2CCCCC2)C(=O)N1CCO
InChIInChI=1S/C18H23N3O3/c22-11-10-21-17(23)12-16(18(21)24)20-15-9-5-4-8-14(15)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,19-20,22H,1-3,6-7,10-11H2
InChIKeyKGSYFXNNJQTBMW-UHFFFAOYSA-N
XLogP2.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557954
3-(2-cyclohexyloxy-3-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559178
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556561
3-(2-cyclohexyloxy-6-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558115
3-(3-fluoro-2-piperidin-1-ylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558086
1-(2-hydroxyethyl)-3-[2-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 168560760
1-(2-hydroxyethyl)-3-(2-propylsulfonylanilino)pyrrole-2,5-dione
CID 168560234
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
3-[2-[[5-(4-fluorophenyl)-3-oxocyclohexen-1-yl]amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557796
1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)sulfonylanilino]pyrrole-2,5-dione
CID 168559379
1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
CID 168556445

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168559383) is 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccccc2NC2CCCCC2)C(=O)N1CCO.
What is the InChIKey of 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is KGSYFXNNJQTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-11-10-21-17(23)12-16(18(21)24)20-15-9-5-4-8-14(15)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,19-20,22H,1-3,6-7,10-11H2.
What are the key properties of 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 329.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168559383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).