[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

C28H24N2O5 — CID 2437991

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1cc(C)n(-c3ccccc3)c1C)oc1ccccc12
InChIInChI=1S/C28H24N2O5/c1-17-13-21(18(2)30(17)19-9-5-4-6-10-19)28(32)34-16-27(31)29-23-15-25-22(14-26(23)33-3)20-11-7-8-12-24(20)35-25/h4-15H,16H2,1-3H3,(H,29,31)
InChIKeySWEFEHUACPUXLB-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.80
Rot. Bonds6

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (PubChem CID 2437991) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
PubChem CID2437991
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1cc(C)n(-c3ccccc3)c1C)oc1ccccc12
InChIInChI=1S/C28H24N2O5/c1-17-13-21(18(2)30(17)19-9-5-4-6-10-19)28(32)34-16-27(31)29-23-15-25-22(14-26(23)33-3)20-11-7-8-12-24(20)35-25/h4-15H,16H2,1-3H3,(H,29,31)
InChIKeySWEFEHUACPUXLB-UHFFFAOYSA-N
XLogP5.80
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525047
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4170376
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 23883403
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 2435948
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2092479

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (CID 2437991) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is COc1cc2c(cc1NC(=O)COC(=O)c1cc(C)n(-c3ccccc3)c1C)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The InChIKey is SWEFEHUACPUXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-17-13-21(18(2)30(17)19-9-5-4-6-10-19)28(32)34-16-27(31)29-23-15-25-22(14-26(23)33-3)20-11-7-8-12-24(20)35-25/h4-15H,16H2,1-3H3,(H,29,31).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 2437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).