methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate

C24H24N2O5 — CID 55560326

IUPACmethyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CCCC1
InChIInChI=1S/C24H24N2O5/c1-14-6-7-15(2)19(12-14)26-21(28)17-9-8-16(13-18(17)22(26)29)20(27)25-24(23(30)31-3)10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyMHEXTGNUDFYBCX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.32
Rot. Bonds4

About methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55560326) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55560326
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namemethyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CCCC1
InChIInChI=1S/C24H24N2O5/c1-14-6-7-15(2)19(12-14)26-21(28)17-9-8-16(13-18(17)22(26)29)20(27)25-24(23(30)31-3)10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyMHEXTGNUDFYBCX-UHFFFAOYSA-N
XLogP3.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate (CID 55560326) is methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CCCC1.
What is the InChIKey of methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is MHEXTGNUDFYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-6-7-15(2)19(12-14)26-21(28)17-9-8-16(13-18(17)22(26)29)20(27)25-24(23(30)31-3)10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27).
What are the key properties of methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).