cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate

C28H24N2O5 — CID 19177393

IUPACcyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H24N2O5/c31-25(29-20-15-13-18(14-16-20)28(34)35-22-9-2-1-3-10-22)19-7-6-8-21(17-19)30-26(32)23-11-4-5-12-24(23)27(30)33/h4-8,11-17,22H,1-3,9-10H2,(H,29,31)
InChIKeyWIKIVIACVOPTCF-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.23
Rot. Bonds5

About cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate

cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate (PubChem CID 19177393) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
PubChem CID19177393
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Namecyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H24N2O5/c31-25(29-20-15-13-18(14-16-20)28(34)35-22-9-2-1-3-10-22)19-7-6-8-21(17-19)30-26(32)23-11-4-5-12-24(23)27(30)33/h4-8,11-17,22H,1-3,9-10H2,(H,29,31)
InChIKeyWIKIVIACVOPTCF-UHFFFAOYSA-N
XLogP5.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxy-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 56508453
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
1-N,3-N-bis(4-acetylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxamide
CID 1149114
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
4-[[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoyl]amino]benzoate
CID 7549718
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
cyclododecyl 4-acetamidobenzoate
CID 3973983
1,3-dioxo-N-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 5286630

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate?
The IUPAC name of cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate (CID 19177393) is cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate?
The canonical SMILES for cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate is O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate?
The InChIKey is WIKIVIACVOPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c31-25(29-20-15-13-18(14-16-20)28(34)35-22-9-2-1-3-10-22)19-7-6-8-21(17-19)30-26(32)23-11-4-5-12-24(23)27(30)33/h4-8,11-17,22H,1-3,9-10H2,(H,29,31).
What are the key properties of cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate?
cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate has a molecular weight of 468.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 19177393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).